REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2aq7_1_B DATA FIRST_RESID 2 DATA SEQUENCE KRAVITGLGI VSSIGNNQQE VLASLREGRS GITFSQELKD SGMRSHVWGN DATA SEQUENCE VKLDTTGLID RKVVRFMSDA SIYAFLSMEQ AIADAGLSPE AYQNNPRVGL DATA SEQUENCE IAGSGGGSPR FQVFGADAMR GPRGLKAVGP YVVTKAMASG VSACLATPFK DATA SEQUENCE IHGVNYSISS ACATSAHCIG NAVEQIQLGK QDIVFAGGGE ELCWEMACEF DATA SEQUENCE DAMGALSTKY NDTPEKASRT YDAHRDGFVI AGGGGMVVVE ELEHALARGA DATA SEQUENCE HIYAEIVGYG ATSDGADMVA PSGEGAVRCM KMAMHGVDTP IDYLNSHGTS DATA SEQUENCE TPVGDVKELA AIREVFGDKS PAISATKAMT GHSLGAAGVQ EAIYSLLMLE DATA SEQUENCE HGFIAPSINI EELDEQAAGL NIVTETTDRE LTTVMSNSFG FGGTNATLVM DATA SEQUENCE RKL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.602 176.600 0.003 0.000 0.988 2 K CA 0.000 56.290 56.287 0.004 0.000 0.838 2 K CB 0.000 32.501 32.500 0.001 0.000 1.064 3 R N 0.975 121.475 120.500 -0.000 0.000 2.532 3 R HA 0.741 5.081 4.340 0.000 0.000 0.295 3 R C -0.868 175.425 176.300 -0.013 0.000 0.968 3 R CA -0.809 55.289 56.100 -0.002 0.000 0.916 3 R CB 1.823 32.123 30.300 -0.001 0.000 1.124 3 R HN 0.566 nan 8.270 nan 0.000 0.463 4 A N 2.265 125.074 122.820 -0.018 0.000 2.355 4 A HA 0.667 4.987 4.320 0.000 0.000 0.317 4 A C -0.503 177.059 177.584 -0.036 0.000 1.094 4 A CA -0.683 51.332 52.037 -0.036 0.000 0.764 4 A CB 1.207 20.177 19.000 -0.049 0.000 1.230 4 A HN 0.526 nan 8.150 nan 0.000 0.448 5 V N -0.125 119.764 119.914 -0.042 0.000 3.102 5 V HA 0.724 4.844 4.120 0.000 0.000 0.312 5 V C -0.733 175.336 176.094 -0.041 0.000 1.135 5 V CA -1.064 61.215 62.300 -0.036 0.000 1.022 5 V CB 1.831 33.634 31.823 -0.033 0.000 1.056 5 V HN 0.625 nan 8.190 nan 0.000 0.436 6 I N 2.913 123.474 120.570 -0.014 0.000 2.312 6 I HA 0.422 4.592 4.170 0.000 0.000 0.290 6 I C 1.152 177.335 176.117 0.111 0.000 1.008 6 I CA 0.188 61.493 61.300 0.009 0.000 1.226 6 I CB 1.104 39.096 38.000 -0.012 0.000 1.371 6 I HN 1.050 nan 8.210 nan 0.000 0.468 7 T N 1.161 115.767 114.554 0.087 0.000 3.010 7 T HA 0.411 4.761 4.350 0.000 0.000 0.257 7 T C 0.637 175.478 174.700 0.235 0.000 1.020 7 T CA -0.183 61.986 62.100 0.116 0.000 0.938 7 T CB 0.736 69.620 68.868 0.027 0.000 1.049 7 T HN 0.697 nan 8.240 nan 0.000 0.522 8 G N 1.352 110.279 108.800 0.212 0.000 2.703 8 G HA2 0.590 4.551 3.960 0.000 0.000 0.294 8 G HA3 0.590 4.551 3.960 0.000 0.000 0.294 8 G C -1.898 173.018 174.900 0.028 0.000 1.451 8 G CA -1.006 44.223 45.100 0.215 0.000 0.869 8 G HN 0.571 nan 8.290 nan 0.000 0.516 9 L N -1.008 120.202 121.223 -0.022 0.000 2.409 9 L HA 1.081 5.422 4.340 0.000 0.000 0.255 9 L C 0.043 176.875 176.870 -0.064 0.000 1.027 9 L CA -1.016 53.751 54.840 -0.122 0.000 0.834 9 L CB 1.919 43.804 42.059 -0.290 0.000 1.426 9 L HN 1.177 nan 8.230 nan 0.000 0.411 10 G N 0.288 109.041 108.800 -0.079 0.000 2.742 10 G HA2 0.736 4.696 3.960 0.000 0.000 0.296 10 G HA3 0.736 4.696 3.960 0.000 0.000 0.296 10 G C -2.152 172.712 174.900 -0.060 0.000 1.436 10 G CA -0.571 44.497 45.100 -0.054 0.000 0.928 10 G HN 0.975 nan 8.290 nan 0.000 0.520 11 I N 0.606 121.154 120.570 -0.036 0.000 2.787 11 I HA 0.589 4.760 4.170 0.000 0.000 0.294 11 I C -1.502 174.601 176.117 -0.024 0.000 1.365 11 I CA -0.902 60.374 61.300 -0.041 0.000 1.029 11 I CB 2.331 40.303 38.000 -0.047 0.000 1.313 11 I HN 0.369 nan 8.210 nan 0.000 0.431 12 V N 6.378 126.264 119.914 -0.047 0.000 2.419 12 V HA 0.603 4.723 4.120 0.000 0.000 0.287 12 V C -0.294 175.707 176.094 -0.154 0.000 1.017 12 V CA -0.249 61.998 62.300 -0.088 0.000 0.844 12 V CB 1.266 33.032 31.823 -0.094 0.000 1.011 12 V HN 0.807 nan 8.190 nan 0.000 0.429 13 S N 2.200 117.838 115.700 -0.103 0.000 2.697 13 S HA 0.464 4.934 4.470 0.000 0.000 0.289 13 S C 1.204 175.751 174.600 -0.088 0.000 1.149 13 S CA 0.072 58.221 58.200 -0.085 0.000 0.850 13 S CB 1.763 64.997 63.200 0.056 0.000 1.151 13 S HN 0.928 nan 8.310 nan 0.000 0.491 14 S N 0.559 116.215 115.700 -0.074 0.000 2.420 14 S HA -0.154 4.316 4.470 0.000 0.000 0.237 14 S C 1.458 176.037 174.600 -0.036 0.000 1.023 14 S CA 1.369 59.530 58.200 -0.065 0.000 0.991 14 S CB -1.186 61.991 63.200 -0.039 0.000 0.792 14 S HN 1.073 nan 8.310 nan 0.000 0.488 15 I N -2.619 117.939 120.570 -0.020 0.000 3.941 15 I HA 0.671 4.841 4.170 0.000 0.000 0.335 15 I C 0.590 176.697 176.117 -0.017 0.000 1.402 15 I CA -0.327 60.956 61.300 -0.029 0.000 1.112 15 I CB 0.274 38.234 38.000 -0.068 0.000 1.043 15 I HN 0.317 nan 8.210 nan 0.000 0.395 16 G N 1.034 109.829 108.800 -0.009 0.000 2.386 16 G HA2 0.059 4.019 3.960 0.000 0.000 0.302 16 G HA3 0.059 4.019 3.960 0.000 0.000 0.302 16 G C -0.879 174.017 174.900 -0.008 0.000 1.629 16 G CA -0.635 44.462 45.100 -0.005 0.000 0.917 16 G HN -0.008 nan 8.290 nan 0.000 0.676 17 N N 0.079 118.773 118.700 -0.009 0.000 2.270 17 N HA 0.107 4.847 4.740 0.000 0.000 0.198 17 N C 0.382 175.896 175.510 0.006 0.000 1.117 17 N CA 0.545 53.590 53.050 -0.008 0.000 0.845 17 N CB 0.426 38.911 38.487 -0.003 0.000 0.980 17 N HN 0.815 nan 8.380 nan 0.000 0.486 18 N N -1.475 117.232 118.700 0.012 0.000 3.020 18 N HA -0.004 4.736 4.740 0.000 0.000 0.248 18 N C 0.465 175.992 175.510 0.029 0.000 1.480 18 N CA -0.652 52.409 53.050 0.019 0.000 0.874 18 N CB 0.488 38.987 38.487 0.020 0.000 1.433 18 N HN -0.149 nan 8.380 nan 0.000 0.530 19 Q N -1.218 118.604 119.800 0.037 0.000 2.226 19 Q HA -0.139 4.201 4.340 0.000 0.000 0.204 19 Q C 0.762 176.789 176.000 0.045 0.000 0.975 19 Q CA 1.503 57.340 55.803 0.058 0.000 0.866 19 Q CB -0.283 28.502 28.738 0.079 0.000 0.915 19 Q HN 0.621 nan 8.270 nan 0.000 0.440 20 Q N 1.235 121.049 119.800 0.023 0.000 2.046 20 Q HA -0.101 4.239 4.340 0.000 0.000 0.200 20 Q C 1.797 177.781 176.000 -0.027 0.000 0.975 20 Q CA 1.912 57.708 55.803 -0.012 0.000 0.836 20 Q CB 0.054 28.786 28.738 -0.010 0.000 0.896 20 Q HN 0.561 nan 8.270 nan 0.000 0.428 21 E N -0.491 119.703 120.200 -0.011 0.000 2.077 21 E HA -0.149 4.202 4.350 0.000 0.000 0.193 21 E C 1.981 178.570 176.600 -0.018 0.000 0.989 21 E CA 1.285 57.675 56.400 -0.018 0.000 0.800 21 E CB -0.031 29.663 29.700 -0.008 0.000 0.746 21 E HN 0.110 nan 8.360 nan 0.000 0.452 22 V N 1.971 121.891 119.914 0.010 0.000 2.295 22 V HA -0.262 3.859 4.120 0.000 0.000 0.246 22 V C 2.354 178.453 176.094 0.009 0.000 1.049 22 V CA 1.382 63.701 62.300 0.032 0.000 1.024 22 V CB -0.467 31.429 31.823 0.122 0.000 0.648 22 V HN 0.345 nan 8.190 nan 0.000 0.447 23 L N 0.019 121.244 121.223 0.004 0.000 1.997 23 L HA -0.289 4.051 4.340 0.000 0.000 0.216 23 L C 2.629 179.419 176.870 -0.134 0.000 1.074 23 L CA 2.424 57.234 54.840 -0.050 0.000 0.763 23 L CB -0.709 41.259 42.059 -0.152 0.000 0.890 23 L HN 0.401 nan 8.230 nan 0.000 0.434 24 A N -0.925 121.820 122.820 -0.126 0.000 1.865 24 A HA -0.247 4.073 4.320 0.000 0.000 0.217 24 A C 2.360 179.875 177.584 -0.114 0.000 1.191 24 A CA 2.297 54.254 52.037 -0.134 0.000 0.623 24 A CB -0.888 18.055 19.000 -0.095 0.000 0.826 24 A HN 0.556 nan 8.150 nan 0.000 0.444 25 S N -0.202 115.449 115.700 -0.082 0.000 2.370 25 S HA -0.128 4.342 4.470 0.000 0.000 0.226 25 S C 1.848 176.399 174.600 -0.082 0.000 1.033 25 S CA 1.579 59.733 58.200 -0.076 0.000 1.011 25 S CB -0.495 62.663 63.200 -0.071 0.000 0.852 25 S HN 0.492 nan 8.310 nan 0.000 0.457 26 L N 0.961 122.141 121.223 -0.072 0.000 2.027 26 L HA -0.074 4.267 4.340 0.000 0.000 0.206 26 L C 2.721 179.599 176.870 0.014 0.000 1.074 26 L CA 1.203 56.040 54.840 -0.005 0.000 0.745 26 L CB -0.459 41.677 42.059 0.129 0.000 0.898 26 L HN 0.202 nan 8.230 nan 0.000 0.433 27 R N 0.232 120.625 120.500 -0.179 0.000 2.152 27 R HA -0.155 4.185 4.340 0.000 0.000 0.232 27 R C 1.653 177.863 176.300 -0.150 0.000 1.117 27 R CA 1.178 57.084 56.100 -0.323 0.000 0.981 27 R CB -0.235 29.742 30.300 -0.538 0.000 0.870 27 R HN 0.527 nan 8.270 nan 0.000 0.451 28 E N -0.651 119.483 120.200 -0.111 0.000 2.474 28 E HA 0.085 4.435 4.350 0.000 0.000 0.195 28 E C 0.581 177.153 176.600 -0.047 0.000 1.039 28 E CA 0.220 56.575 56.400 -0.075 0.000 0.881 28 E CB 0.645 30.301 29.700 -0.073 0.000 0.970 28 E HN 0.433 nan 8.360 nan 0.000 0.486 29 G N 2.612 111.389 108.800 -0.039 0.000 2.273 29 G HA2 -0.351 3.609 3.960 0.000 0.000 0.280 29 G HA3 -0.351 3.609 3.960 0.000 0.000 0.280 29 G C 0.002 174.881 174.900 -0.035 0.000 1.047 29 G CA 0.324 45.407 45.100 -0.029 0.000 0.869 29 G HN 0.152 nan 8.290 nan 0.000 0.502 30 R N 0.288 120.761 120.500 -0.045 0.000 2.254 30 R HA 0.511 4.851 4.340 0.000 0.000 0.318 30 R C 0.801 177.078 176.300 -0.039 0.000 1.031 30 R CA 0.210 56.287 56.100 -0.038 0.000 0.905 30 R CB 0.732 31.008 30.300 -0.040 0.000 1.050 30 R HN 0.249 nan 8.270 nan 0.000 0.456 31 S N 1.772 117.459 115.700 -0.022 0.000 2.565 31 S HA 0.219 4.690 4.470 0.000 0.000 0.276 31 S C 0.941 175.540 174.600 -0.002 0.000 1.326 31 S CA -0.324 57.868 58.200 -0.013 0.000 1.045 31 S CB 1.145 64.346 63.200 0.002 0.000 0.918 31 S HN 0.792 nan 8.310 nan 0.000 0.505 32 G N 4.152 112.952 108.800 0.000 0.000 3.337 32 G HA2 0.246 4.206 3.960 0.000 0.000 0.246 32 G HA3 0.246 4.206 3.960 0.000 0.000 0.246 32 G C 0.066 174.996 174.900 0.049 0.000 1.131 32 G CA -0.256 44.851 45.100 0.012 0.000 0.773 32 G HN 0.606 nan 8.290 nan 0.000 0.544 33 I N 2.492 123.105 120.570 0.072 0.000 2.365 33 I HA 0.390 4.560 4.170 0.000 0.000 0.291 33 I C 0.620 176.835 176.117 0.164 0.000 1.004 33 I CA -0.412 60.965 61.300 0.128 0.000 1.311 33 I CB 0.638 38.705 38.000 0.111 0.000 1.401 33 I HN 0.071 nan 8.210 nan 0.000 0.491 34 T N 2.586 117.294 114.554 0.256 0.000 2.887 34 T HA 0.549 4.899 4.350 0.000 0.000 0.292 34 T C -0.490 174.378 174.700 0.281 0.000 1.087 34 T CA -0.743 61.522 62.100 0.275 0.000 1.009 34 T CB 1.787 70.835 68.868 0.299 0.000 1.203 34 T HN 0.235 nan 8.240 nan 0.000 0.518 35 F N 1.414 121.425 119.950 0.102 0.000 2.471 35 F HA 0.544 5.071 4.527 0.000 0.000 0.353 35 F C 0.436 176.180 175.800 -0.093 0.000 1.113 35 F CA -0.038 57.967 58.000 0.008 0.000 1.262 35 F CB 0.887 39.898 39.000 0.019 0.000 1.146 35 F HN 0.659 nan 8.300 nan 0.000 0.578 36 S N 4.853 119.765 115.700 -1.313 0.000 2.669 36 S HA 0.181 4.652 4.470 0.000 0.000 0.315 36 S C 0.480 174.257 174.600 -1.372 0.000 1.106 36 S CA -0.692 56.678 58.200 -1.384 0.000 1.107 36 S CB 1.324 63.153 63.200 -2.285 0.000 0.990 36 S HN 0.896 nan 8.310 nan 0.000 0.471 37 Q N 3.330 122.649 119.800 -0.801 0.000 2.124 37 Q HA -0.092 4.248 4.340 0.000 0.000 0.202 37 Q C 1.781 177.559 176.000 -0.371 0.000 0.977 37 Q CA 2.256 57.814 55.803 -0.408 0.000 0.850 37 Q CB -0.177 28.544 28.738 -0.028 0.000 0.901 37 Q HN 0.908 nan 8.270 nan 0.000 0.429 38 E N -0.530 119.468 120.200 -0.338 0.000 2.085 38 E HA -0.202 4.148 4.350 0.000 0.000 0.194 38 E C 1.796 178.230 176.600 -0.277 0.000 0.994 38 E CA 1.314 57.594 56.400 -0.201 0.000 0.801 38 E CB -0.173 29.553 29.700 0.043 0.000 0.743 38 E HN 0.453 nan 8.360 nan 0.000 0.453 39 L N 0.527 121.457 121.223 -0.489 0.000 2.056 39 L HA -0.149 4.192 4.340 0.000 0.000 0.207 39 L C 2.859 179.548 176.870 -0.303 0.000 1.078 39 L CA 1.362 56.012 54.840 -0.317 0.000 0.749 39 L CB -0.509 41.317 42.059 -0.389 0.000 0.901 39 L HN 0.156 nan 8.230 nan 0.000 0.433 40 K N 0.317 120.408 120.400 -0.515 0.000 2.057 40 K HA -0.201 4.119 4.320 0.000 0.000 0.207 40 K C 1.608 177.975 176.600 -0.389 0.000 1.049 40 K CA 1.761 57.637 56.287 -0.685 0.000 0.931 40 K CB 0.041 32.063 32.500 -0.797 0.000 0.714 40 K HN 0.179 nan 8.250 nan 0.000 0.440 41 D N 0.169 120.380 120.400 -0.316 0.000 2.218 41 D HA -0.114 4.526 4.640 0.000 0.000 0.204 41 D C 1.866 177.981 176.300 -0.307 0.000 0.976 41 D CA 1.404 55.252 54.000 -0.254 0.000 0.853 41 D CB -0.075 40.601 40.800 -0.208 0.000 0.939 41 D HN 0.338 nan 8.370 nan 0.000 0.481 42 S N -1.005 114.474 115.700 -0.369 0.000 2.515 42 S HA 0.133 4.603 4.470 0.000 0.000 0.231 42 S C 1.768 176.188 174.600 -0.299 0.000 0.987 42 S CA 0.835 58.732 58.200 -0.505 0.000 0.936 42 S CB 0.153 63.033 63.200 -0.534 0.000 0.766 42 S HN 0.310 nan 8.310 nan 0.000 0.528 43 G N 0.614 109.301 108.800 -0.188 0.000 2.144 43 G HA2 -0.217 3.743 3.960 0.000 0.000 0.218 43 G HA3 -0.217 3.743 3.960 0.000 0.000 0.218 43 G C -0.028 174.863 174.900 -0.014 0.000 0.988 43 G CA 0.078 45.120 45.100 -0.096 0.000 0.659 43 G HN 0.477 nan 8.290 nan 0.000 0.522 44 M N -0.523 119.086 119.600 0.014 0.000 2.202 44 M HA 0.420 4.900 4.480 0.000 0.000 0.316 44 M C 1.878 178.282 176.300 0.174 0.000 1.138 44 M CA -0.107 55.246 55.300 0.089 0.000 1.151 44 M CB 0.548 33.209 32.600 0.102 0.000 1.422 44 M HN 0.123 nan 8.290 nan 0.000 0.471 45 R N -0.342 120.207 120.500 0.082 0.000 2.189 45 R HA 0.106 4.446 4.340 0.000 0.000 0.203 45 R C 0.429 176.573 176.300 -0.260 0.000 1.012 45 R CA 0.235 56.318 56.100 -0.028 0.000 1.015 45 R CB 0.283 30.559 30.300 -0.041 0.000 0.938 45 R HN 0.587 nan 8.270 nan 0.000 0.472 46 S N 0.627 116.258 115.700 -0.114 0.000 2.452 46 S HA 0.123 4.593 4.470 0.000 0.000 0.284 46 S C -0.177 174.403 174.600 -0.033 0.000 1.171 46 S CA -0.536 57.581 58.200 -0.138 0.000 1.064 46 S CB 0.253 63.418 63.200 -0.060 0.000 0.967 46 S HN 0.337 nan 8.310 nan 0.000 0.484 47 H N 3.026 122.026 119.070 -0.116 0.000 2.492 47 H HA 0.366 4.923 4.556 0.000 0.000 0.264 47 H C -0.140 174.967 175.328 -0.368 0.000 1.150 47 H CA -0.708 55.161 56.048 -0.297 0.000 0.962 47 H CB 0.410 30.041 29.762 -0.218 0.000 1.766 47 H HN 0.446 nan 8.280 nan 0.000 0.589 48 V N -1.694 118.149 119.914 -0.117 0.000 2.823 48 V HA 0.668 4.788 4.120 0.000 0.000 0.312 48 V C -1.340 174.806 176.094 0.085 0.000 1.072 48 V CA -0.931 61.347 62.300 -0.037 0.000 0.937 48 V CB 2.074 33.950 31.823 0.090 0.000 1.013 48 V HN 0.423 nan 8.190 nan 0.000 0.430 49 W N 1.195 122.513 121.300 0.030 0.000 3.066 49 W HA 0.813 5.473 4.660 0.000 0.000 0.330 49 W C -0.289 176.251 176.519 0.037 0.000 1.253 49 W CA -1.719 55.647 57.345 0.035 0.000 1.187 49 W CB 0.838 30.315 29.460 0.028 0.000 1.434 49 W HN 1.023 nan 8.180 nan 0.000 0.572 50 G N 3.373 112.299 108.800 0.210 0.000 3.058 50 G HA2 0.325 4.286 3.960 0.000 0.000 0.316 50 G HA3 0.325 4.286 3.960 0.000 0.000 0.316 50 G C -0.407 174.405 174.900 -0.146 0.000 0.951 50 G CA -0.636 44.490 45.100 0.044 0.000 1.535 50 G HN 0.561 nan 8.290 nan 0.000 0.500 51 N N 0.972 119.514 118.700 -0.262 0.000 2.524 51 N HA 0.185 4.926 4.740 0.000 0.000 0.283 51 N C -0.202 175.147 175.510 -0.268 0.000 1.142 51 N CA -0.633 52.141 53.050 -0.460 0.000 0.984 51 N CB 1.981 40.088 38.487 -0.634 0.000 1.155 51 N HN -0.045 nan 8.380 nan 0.000 0.467 52 V N 1.977 121.708 119.914 -0.305 0.000 2.470 52 V HA 0.025 4.145 4.120 0.000 0.000 0.276 52 V C 0.787 176.797 176.094 -0.140 0.000 1.040 52 V CA -0.283 61.861 62.300 -0.260 0.000 1.008 52 V CB 0.041 31.591 31.823 -0.454 0.000 0.990 52 V HN 0.563 nan 8.190 nan 0.000 0.477 53 K N 6.004 126.350 120.400 -0.088 0.000 2.333 53 K HA 0.458 4.778 4.320 0.000 0.000 0.241 53 K C -0.877 175.713 176.600 -0.015 0.000 1.193 53 K CA -0.313 55.954 56.287 -0.035 0.000 1.142 53 K CB 0.314 32.805 32.500 -0.016 0.000 1.731 53 K HN 0.439 nan 8.250 nan 0.000 0.344 54 L N 0.715 121.937 121.223 -0.002 0.000 2.676 54 L HA 0.248 4.588 4.340 0.000 0.000 0.262 54 L C -1.681 175.219 176.870 0.049 0.000 0.932 54 L CA -0.418 54.437 54.840 0.024 0.000 0.932 54 L CB 2.011 44.087 42.059 0.027 0.000 1.355 54 L HN 0.153 nan 8.230 nan 0.000 0.421 55 D N 2.303 122.728 120.400 0.042 0.000 2.336 55 D HA 0.235 4.875 4.640 0.000 0.000 0.249 55 D C 0.940 177.266 176.300 0.044 0.000 1.213 55 D CA 0.468 54.493 54.000 0.041 0.000 0.870 55 D CB 1.492 42.310 40.800 0.030 0.000 1.076 55 D HN 0.705 nan 8.370 nan 0.000 0.483 56 T N -0.195 114.388 114.554 0.049 0.000 3.107 56 T HA 0.037 4.388 4.350 0.000 0.000 0.249 56 T C 0.756 175.457 174.700 0.002 0.000 1.096 56 T CA -0.298 61.826 62.100 0.041 0.000 1.012 56 T CB -0.334 68.565 68.868 0.051 0.000 0.977 56 T HN 0.225 nan 8.240 nan 0.000 0.527 57 T N 2.386 116.937 114.554 -0.003 0.000 2.871 57 T HA 0.411 4.761 4.350 0.000 0.000 0.296 57 T C 1.582 176.270 174.700 -0.020 0.000 0.998 57 T CA 0.805 62.893 62.100 -0.020 0.000 1.162 57 T CB 0.150 69.010 68.868 -0.013 0.000 0.947 57 T HN 0.725 nan 8.240 nan 0.000 0.536 58 G N 2.466 111.243 108.800 -0.038 0.000 2.225 58 G HA2 -0.270 3.690 3.960 0.000 0.000 0.254 58 G HA3 -0.270 3.690 3.960 0.000 0.000 0.254 58 G C 0.861 175.745 174.900 -0.027 0.000 0.988 58 G CA 0.267 45.347 45.100 -0.034 0.000 0.625 58 G HN 0.679 nan 8.290 nan 0.000 0.527 59 L N 0.082 121.294 121.223 -0.018 0.000 2.478 59 L HA 0.364 4.705 4.340 0.000 0.000 0.223 59 L C 1.124 177.993 176.870 -0.001 0.000 1.140 59 L CA 0.662 55.510 54.840 0.013 0.000 0.842 59 L CB -0.134 41.953 42.059 0.046 0.000 0.953 59 L HN 0.283 nan 8.230 nan 0.000 0.452 60 I N -0.880 119.635 120.570 -0.093 0.000 2.545 60 I HA 0.181 4.351 4.170 0.000 0.000 0.292 60 I C -0.124 175.883 176.117 -0.184 0.000 1.040 60 I CA -0.885 60.287 61.300 -0.213 0.000 1.068 60 I CB 2.152 39.867 38.000 -0.475 0.000 1.251 60 I HN -0.146 nan 8.210 nan 0.000 0.424 61 D N 5.001 125.304 120.400 -0.162 0.000 2.629 61 D HA -0.090 4.550 4.640 0.000 0.000 0.228 61 D C 1.238 177.445 176.300 -0.153 0.000 1.127 61 D CA 0.677 54.602 54.000 -0.124 0.000 0.855 61 D CB 1.111 41.853 40.800 -0.097 0.000 1.180 61 D HN 0.533 nan 8.370 nan 0.000 0.484 62 R N 3.330 123.755 120.500 -0.125 0.000 2.096 62 R HA -0.182 4.158 4.340 0.000 0.000 0.240 62 R C 1.699 177.891 176.300 -0.179 0.000 1.139 62 R CA 1.466 57.477 56.100 -0.148 0.000 0.952 62 R CB 0.077 30.308 30.300 -0.114 0.000 0.854 62 R HN 0.468 nan 8.270 nan 0.000 0.436 63 K N -0.287 120.039 120.400 -0.123 0.000 2.365 63 K HA -0.042 4.278 4.320 0.000 0.000 0.199 63 K C 1.809 178.395 176.600 -0.023 0.000 1.045 63 K CA 0.774 57.010 56.287 -0.086 0.000 0.962 63 K CB 0.324 32.813 32.500 -0.018 0.000 0.759 63 K HN 0.113 nan 8.250 nan 0.000 0.469 64 V N -0.145 119.719 119.914 -0.083 0.000 2.492 64 V HA -0.098 4.023 4.120 0.000 0.000 0.241 64 V C 1.902 177.914 176.094 -0.137 0.000 1.041 64 V CA 0.822 63.076 62.300 -0.077 0.000 1.057 64 V CB 0.274 31.971 31.823 -0.210 0.000 0.711 64 V HN 0.051 nan 8.190 nan 0.000 0.468 65 V N 2.350 122.109 119.914 -0.258 0.000 2.759 65 V HA -0.184 3.936 4.120 0.000 0.000 0.256 65 V C 2.774 178.675 176.094 -0.321 0.000 1.080 65 V CA 2.039 64.163 62.300 -0.292 0.000 1.101 65 V CB -0.645 31.006 31.823 -0.287 0.000 0.698 65 V HN 0.705 nan 8.190 nan 0.000 0.477 66 R N -0.892 119.346 120.500 -0.437 0.000 2.159 66 R HA -0.152 4.188 4.340 0.000 0.000 0.237 66 R C 1.861 177.642 176.300 -0.865 0.000 1.131 66 R CA 2.129 57.762 56.100 -0.778 0.000 0.982 66 R CB -0.810 28.792 30.300 -1.163 0.000 0.868 66 R HN 0.485 nan 8.270 nan 0.000 0.453 67 F N 0.966 120.666 119.950 -0.417 0.000 2.780 67 F HA 0.290 4.817 4.527 0.000 0.000 0.299 67 F C 0.961 176.613 175.800 -0.247 0.000 1.146 67 F CA 0.215 58.071 58.000 -0.240 0.000 1.428 67 F CB 0.103 39.026 39.000 -0.128 0.000 1.115 67 F HN -0.093 nan 8.300 nan 0.000 0.583 68 M N -0.132 119.372 119.600 -0.159 0.000 2.336 68 M HA 0.292 4.773 4.480 0.000 0.000 0.342 68 M C 0.449 176.598 176.300 -0.251 0.000 1.128 68 M CA -0.658 54.543 55.300 -0.164 0.000 1.016 68 M CB 1.752 34.252 32.600 -0.167 0.000 1.665 68 M HN -0.016 nan 8.290 nan 0.000 0.445 69 S N 0.368 115.961 115.700 -0.179 0.000 2.686 69 S HA 0.266 4.736 4.470 0.000 0.000 0.270 69 S C 0.401 174.943 174.600 -0.096 0.000 1.194 69 S CA -0.676 57.491 58.200 -0.055 0.000 0.990 69 S CB 0.871 64.120 63.200 0.081 0.000 1.029 69 S HN 0.662 nan 8.310 nan 0.000 0.560 70 D N 1.113 121.449 120.400 -0.107 0.000 2.123 70 D HA -0.051 4.589 4.640 0.000 0.000 0.196 70 D C 2.235 178.225 176.300 -0.518 0.000 0.992 70 D CA 1.840 55.587 54.000 -0.423 0.000 0.833 70 D CB -0.989 39.565 40.800 -0.411 0.000 0.954 70 D HN 0.677 nan 8.370 nan 0.000 0.455 71 A N 0.525 123.236 122.820 -0.182 0.000 1.892 71 A HA -0.223 4.097 4.320 0.000 0.000 0.218 71 A C 2.445 180.021 177.584 -0.013 0.000 1.188 71 A CA 2.270 54.290 52.037 -0.029 0.000 0.631 71 A CB -0.691 18.332 19.000 0.038 0.000 0.822 71 A HN 0.209 nan 8.150 nan 0.000 0.447 72 S N -0.350 115.331 115.700 -0.033 0.000 2.368 72 S HA -0.067 4.404 4.470 0.000 0.000 0.224 72 S C 1.811 176.434 174.600 0.038 0.000 1.029 72 S CA 1.300 59.512 58.200 0.021 0.000 0.988 72 S CB -0.483 62.719 63.200 0.004 0.000 0.838 72 S HN 0.536 nan 8.310 nan 0.000 0.462 73 I N 0.537 121.050 120.570 -0.096 0.000 2.127 73 I HA -0.240 3.930 4.170 0.000 0.000 0.241 73 I C 2.124 178.301 176.117 0.099 0.000 1.075 73 I CA 1.453 62.703 61.300 -0.083 0.000 1.334 73 I CB -0.487 37.368 38.000 -0.242 0.000 1.040 73 I HN 0.262 nan 8.210 nan 0.000 0.405 74 Y N 0.824 121.167 120.300 0.072 0.000 2.181 74 Y HA -0.196 4.354 4.550 0.000 0.000 0.288 74 Y C 2.668 178.612 175.900 0.074 0.000 1.146 74 Y CA 0.801 58.936 58.100 0.059 0.000 1.164 74 Y CB -1.387 37.086 38.460 0.021 0.000 0.982 74 Y HN 0.134 nan 8.280 nan 0.000 0.515 75 A N -0.422 122.536 122.820 0.231 0.000 1.898 75 A HA -0.188 4.132 4.320 0.000 0.000 0.216 75 A C 2.194 179.871 177.584 0.155 0.000 1.181 75 A CA 1.299 53.422 52.037 0.144 0.000 0.620 75 A CB -1.351 17.715 19.000 0.109 0.000 0.819 75 A HN 0.423 nan 8.150 nan 0.000 0.442 76 F N 0.695 120.701 119.950 0.093 0.000 2.095 76 F HA -0.180 4.347 4.527 0.000 0.000 0.298 76 F C 1.912 177.806 175.800 0.158 0.000 1.104 76 F CA 1.926 60.029 58.000 0.172 0.000 1.232 76 F CB -0.264 38.812 39.000 0.126 0.000 0.987 76 F HN 0.146 nan 8.300 nan 0.000 0.475 77 L N -0.691 120.760 121.223 0.380 0.000 2.046 77 L HA -0.224 4.117 4.340 0.000 0.000 0.208 77 L C 2.517 179.430 176.870 0.072 0.000 1.077 77 L CA 1.402 56.388 54.840 0.243 0.000 0.747 77 L CB -0.941 41.267 42.059 0.248 0.000 0.896 77 L HN 0.072 nan 8.230 nan 0.000 0.432 78 S N -0.313 115.418 115.700 0.052 0.000 2.382 78 S HA -0.243 4.228 4.470 0.000 0.000 0.228 78 S C 1.929 176.461 174.600 -0.114 0.000 1.027 78 S CA 1.696 59.883 58.200 -0.022 0.000 0.991 78 S CB -0.265 62.926 63.200 -0.014 0.000 0.823 78 S HN 0.364 nan 8.310 nan 0.000 0.469 79 M N 1.393 120.868 119.600 -0.208 0.000 2.175 79 M HA -0.086 4.395 4.480 0.000 0.000 0.264 79 M C 1.927 177.916 176.300 -0.518 0.000 1.063 79 M CA 1.344 56.365 55.300 -0.464 0.000 1.119 79 M CB -0.132 31.999 32.600 -0.781 0.000 1.377 79 M HN 0.232 nan 8.290 nan 0.000 0.415 80 E N -0.088 119.910 120.200 -0.336 0.000 2.058 80 E HA -0.269 4.081 4.350 0.000 0.000 0.194 80 E C 2.033 178.563 176.600 -0.116 0.000 0.997 80 E CA 1.755 58.048 56.400 -0.177 0.000 0.801 80 E CB -0.222 29.450 29.700 -0.046 0.000 0.746 80 E HN 0.682 nan 8.360 nan 0.000 0.450 81 Q N 0.191 119.943 119.800 -0.079 0.000 2.096 81 Q HA -0.170 4.170 4.340 0.000 0.000 0.204 81 Q C 2.235 178.209 176.000 -0.044 0.000 0.982 81 Q CA 1.455 57.236 55.803 -0.037 0.000 0.850 81 Q CB -0.208 28.520 28.738 -0.018 0.000 0.901 81 Q HN 0.235 nan 8.270 nan 0.000 0.422 82 A N 0.846 123.616 122.820 -0.083 0.000 1.902 82 A HA -0.169 4.151 4.320 0.000 0.000 0.217 82 A C 2.058 179.623 177.584 -0.031 0.000 1.181 82 A CA 1.111 53.120 52.037 -0.046 0.000 0.623 82 A CB -0.634 18.336 19.000 -0.051 0.000 0.818 82 A HN 0.300 nan 8.150 nan 0.000 0.443 83 I N -0.207 120.282 120.570 -0.135 0.000 2.163 83 I HA -0.325 3.846 4.170 0.000 0.000 0.243 83 I C 2.976 179.074 176.117 -0.032 0.000 1.085 83 I CA 1.254 62.467 61.300 -0.145 0.000 1.347 83 I CB -0.297 37.475 38.000 -0.380 0.000 1.044 83 I HN 0.369 nan 8.210 nan 0.000 0.408 84 A N 0.095 122.903 122.820 -0.020 0.000 1.898 84 A HA -0.279 4.041 4.320 0.000 0.000 0.216 84 A C 2.006 179.612 177.584 0.038 0.000 1.181 84 A CA 2.173 54.223 52.037 0.021 0.000 0.620 84 A CB -0.705 18.307 19.000 0.020 0.000 0.819 84 A HN 0.445 nan 8.150 nan 0.000 0.442 85 D N -0.106 120.321 120.400 0.046 0.000 2.178 85 D HA -0.016 4.624 4.640 0.000 0.000 0.201 85 D C 1.807 178.174 176.300 0.111 0.000 0.980 85 D CA 1.420 55.473 54.000 0.088 0.000 0.842 85 D CB -0.153 40.721 40.800 0.124 0.000 0.948 85 D HN 0.335 nan 8.370 nan 0.000 0.472 86 A N -0.659 122.217 122.820 0.092 0.000 2.167 86 A HA 0.377 4.697 4.320 0.000 0.000 0.214 86 A C 1.762 179.387 177.584 0.069 0.000 1.151 86 A CA 0.982 53.072 52.037 0.088 0.000 0.735 86 A CB -0.627 18.408 19.000 0.059 0.000 0.802 86 A HN 0.461 nan 8.150 nan 0.000 0.467 87 G N -0.804 108.033 108.800 0.062 0.000 2.272 87 G HA2 -0.209 3.751 3.960 0.000 0.000 0.280 87 G HA3 -0.209 3.751 3.960 0.000 0.000 0.280 87 G C -0.142 174.806 174.900 0.080 0.000 1.067 87 G CA 0.376 45.512 45.100 0.059 0.000 0.902 87 G HN 0.469 nan 8.290 nan 0.000 0.500 88 L N 1.698 122.984 121.223 0.105 0.000 2.265 88 L HA 0.508 4.848 4.340 0.000 0.000 0.289 88 L C 1.237 178.255 176.870 0.248 0.000 1.033 88 L CA -0.318 54.629 54.840 0.179 0.000 0.814 88 L CB 1.495 43.677 42.059 0.205 0.000 1.203 88 L HN 0.446 nan 8.230 nan 0.000 0.423 89 S N 2.823 118.642 115.700 0.199 0.000 2.600 89 S HA 0.304 4.775 4.470 0.000 0.000 0.265 89 S C -1.854 172.848 174.600 0.171 0.000 1.325 89 S CA -1.090 57.209 58.200 0.164 0.000 1.002 89 S CB 0.950 64.197 63.200 0.080 0.000 0.921 89 S HN 0.373 nan 8.310 nan 0.000 0.554 90 P HA -0.187 nan 4.420 nan 0.000 0.216 90 P C 1.476 178.578 177.300 -0.329 0.000 1.153 90 P CA 1.478 64.405 63.100 -0.287 0.000 0.858 90 P CB -0.085 31.528 31.700 -0.145 0.000 0.789 91 E N -0.270 119.852 120.200 -0.130 0.000 2.268 91 E HA -0.115 4.235 4.350 0.000 0.000 0.195 91 E C 1.894 178.462 176.600 -0.054 0.000 0.995 91 E CA 1.381 57.724 56.400 -0.096 0.000 0.836 91 E CB -1.147 28.527 29.700 -0.044 0.000 0.763 91 E HN 0.198 nan 8.360 nan 0.000 0.491 92 A N 1.225 124.052 122.820 0.012 0.000 1.898 92 A HA -0.135 4.185 4.320 0.000 0.000 0.216 92 A C 1.927 179.597 177.584 0.144 0.000 1.181 92 A CA 1.529 53.629 52.037 0.105 0.000 0.620 92 A CB -0.599 18.509 19.000 0.179 0.000 0.819 92 A HN 0.502 nan 8.150 nan 0.000 0.442 93 Y N -1.856 118.488 120.300 0.074 0.000 2.430 93 Y HA 0.452 5.003 4.550 0.000 0.000 0.254 93 Y C 0.706 176.645 175.900 0.065 0.000 1.088 93 Y CA -0.601 57.560 58.100 0.102 0.000 1.267 93 Y CB -0.134 38.458 38.460 0.220 0.000 1.204 93 Y HN 0.201 nan 8.280 nan 0.000 0.515 94 Q N 1.922 121.388 119.800 -0.557 0.000 2.260 94 Q HA 0.203 4.543 4.340 0.000 0.000 0.242 94 Q C -0.227 175.580 176.000 -0.322 0.000 0.932 94 Q CA -0.461 55.086 55.803 -0.427 0.000 0.891 94 Q CB 0.473 28.906 28.738 -0.508 0.000 1.222 94 Q HN 0.352 nan 8.270 nan 0.000 0.453 95 N N 1.813 120.222 118.700 -0.485 0.000 2.716 95 N HA -0.204 4.536 4.740 0.000 0.000 0.250 95 N C -1.172 174.061 175.510 -0.463 0.000 1.033 95 N CA 0.743 53.266 53.050 -0.879 0.000 0.727 95 N CB -1.055 37.159 38.487 -0.456 0.000 0.950 95 N HN 0.546 nan 8.380 nan 0.000 0.541 96 N N -0.036 118.521 118.700 -0.238 0.000 2.531 96 N HA 0.307 5.048 4.740 0.000 0.000 0.268 96 N C -1.914 173.656 175.510 0.100 0.000 1.023 96 N CA -1.818 51.224 53.050 -0.013 0.000 0.896 96 N CB 1.612 40.103 38.487 0.006 0.000 1.233 96 N HN -0.199 nan 8.380 nan 0.000 0.512 97 P HA -0.090 nan 4.420 nan 0.000 0.218 97 P C 0.659 177.994 177.300 0.058 0.000 1.146 97 P CA 1.126 64.294 63.100 0.113 0.000 0.820 97 P CB 0.378 32.129 31.700 0.084 0.000 0.778 98 R N -1.100 119.417 120.500 0.029 0.000 2.320 98 R HA 0.182 4.522 4.340 0.000 0.000 0.211 98 R C -0.061 176.210 176.300 -0.048 0.000 0.931 98 R CA 0.145 56.233 56.100 -0.021 0.000 1.071 98 R CB -0.099 30.172 30.300 -0.049 0.000 1.025 98 R HN 0.154 nan 8.270 nan 0.000 0.495 99 V N 0.223 120.142 119.914 0.009 0.000 2.444 99 V HA 0.642 4.762 4.120 0.000 0.000 0.294 99 V C 0.435 176.574 176.094 0.075 0.000 1.022 99 V CA -0.812 61.502 62.300 0.022 0.000 0.850 99 V CB 1.761 33.660 31.823 0.126 0.000 0.992 99 V HN 0.288 nan 8.190 nan 0.000 0.426 100 G N 3.649 112.464 108.800 0.025 0.000 3.042 100 G HA2 0.791 4.751 3.960 0.000 0.000 0.278 100 G HA3 0.791 4.751 3.960 0.000 0.000 0.278 100 G C -1.745 173.198 174.900 0.071 0.000 1.371 100 G CA -0.649 44.469 45.100 0.029 0.000 1.009 100 G HN 0.557 nan 8.290 nan 0.000 0.523 101 L N 0.414 121.630 121.223 -0.011 0.000 2.580 101 L HA 0.606 4.946 4.340 0.000 0.000 0.266 101 L C -1.630 175.153 176.870 -0.143 0.000 0.955 101 L CA -0.473 54.367 54.840 -0.000 0.000 0.886 101 L CB 1.131 43.213 42.059 0.039 0.000 1.263 101 L HN 0.511 nan 8.230 nan 0.000 0.406 102 I N 5.047 125.530 120.570 -0.145 0.000 2.439 102 I HA 0.736 4.906 4.170 0.000 0.000 0.283 102 I C -0.217 175.862 176.117 -0.064 0.000 1.023 102 I CA -0.235 60.953 61.300 -0.187 0.000 1.100 102 I CB 1.834 39.691 38.000 -0.237 0.000 1.238 102 I HN 0.759 nan 8.210 nan 0.000 0.445 103 A N 4.340 127.150 122.820 -0.018 0.000 2.540 103 A HA 0.909 5.230 4.320 0.000 0.000 0.297 103 A C -0.699 176.913 177.584 0.045 0.000 1.056 103 A CA -0.381 51.663 52.037 0.012 0.000 0.700 103 A CB 1.612 20.615 19.000 0.006 0.000 1.280 103 A HN 0.750 nan 8.150 nan 0.000 0.398 104 G N -0.062 108.769 108.800 0.052 0.000 3.022 104 G HA2 0.862 4.822 3.960 0.000 0.000 0.284 104 G HA3 0.862 4.822 3.960 0.000 0.000 0.284 104 G C -0.466 174.471 174.900 0.061 0.000 1.375 104 G CA 0.094 45.234 45.100 0.066 0.000 0.902 104 G HN 1.847 nan 8.290 nan 0.000 0.538 105 S N -2.057 113.682 115.700 0.066 0.000 2.627 105 S HA 0.667 5.137 4.470 0.000 0.000 0.283 105 S C 0.996 175.637 174.600 0.067 0.000 1.127 105 S CA 0.148 58.387 58.200 0.064 0.000 0.863 105 S CB 1.505 64.745 63.200 0.067 0.000 1.121 105 S HN 1.347 nan 8.310 nan 0.000 0.479 106 G N 0.242 109.080 108.800 0.063 0.000 2.394 106 G HA2 0.253 4.213 3.960 0.000 0.000 0.214 106 G HA3 0.253 4.213 3.960 0.000 0.000 0.214 106 G C 0.979 175.932 174.900 0.089 0.000 1.176 106 G CA 0.538 45.681 45.100 0.072 0.000 0.786 106 G HN 1.130 nan 8.290 nan 0.000 0.533 107 G N -0.992 107.863 108.800 0.092 0.000 3.159 107 G HA2 0.441 4.401 3.960 0.000 0.000 0.232 107 G HA3 0.441 4.401 3.960 0.000 0.000 0.232 107 G C 1.148 176.094 174.900 0.077 0.000 1.116 107 G CA 0.817 45.974 45.100 0.094 0.000 0.767 107 G HN 1.139 nan 8.290 nan 0.000 0.547 108 G N 0.286 109.131 108.800 0.074 0.000 2.574 108 G HA2 -0.229 3.732 3.960 0.000 0.000 0.301 108 G HA3 -0.229 3.732 3.960 0.000 0.000 0.301 108 G C 0.425 175.372 174.900 0.079 0.000 1.166 108 G CA 0.764 45.908 45.100 0.072 0.000 0.971 108 G HN 1.408 nan 8.290 nan 0.000 0.542 109 S N 1.535 117.290 115.700 0.092 0.000 2.383 109 S HA 0.640 5.111 4.470 0.000 0.000 0.196 109 S C -1.255 173.394 174.600 0.080 0.000 1.364 109 S CA 0.028 58.294 58.200 0.110 0.000 1.212 109 S CB 1.721 65.054 63.200 0.221 0.000 1.171 109 S HN 0.279 nan 8.310 nan 0.000 0.456 110 P HA -0.152 nan 4.420 nan 0.000 0.216 110 P C 1.508 178.749 177.300 -0.098 0.000 1.150 110 P CA 0.841 63.922 63.100 -0.033 0.000 0.843 110 P CB 0.116 31.779 31.700 -0.062 0.000 0.787 111 R N -0.975 119.431 120.500 -0.156 0.000 2.083 111 R HA -0.133 4.207 4.340 0.000 0.000 0.237 111 R C 1.963 178.111 176.300 -0.254 0.000 1.137 111 R CA 1.716 57.638 56.100 -0.297 0.000 0.951 111 R CB -0.910 29.142 30.300 -0.414 0.000 0.851 111 R HN 0.125 nan 8.270 nan 0.000 0.434 112 F N 0.702 120.653 119.950 0.003 0.000 2.367 112 F HA 0.014 4.541 4.527 0.000 0.000 0.298 112 F C 2.499 178.374 175.800 0.124 0.000 1.094 112 F CA 0.776 58.817 58.000 0.068 0.000 1.409 112 F CB 0.029 39.035 39.000 0.009 0.000 1.064 112 F HN 0.116 nan 8.300 nan 0.000 0.528 113 Q N -0.098 119.824 119.800 0.204 0.000 2.061 113 Q HA -0.177 4.163 4.340 0.000 0.000 0.204 113 Q C 2.367 178.430 176.000 0.105 0.000 0.984 113 Q CA 1.867 57.750 55.803 0.135 0.000 0.846 113 Q CB -0.461 28.323 28.738 0.077 0.000 0.902 113 Q HN 0.265 nan 8.270 nan 0.000 0.421 114 V N 0.500 120.449 119.914 0.058 0.000 2.358 114 V HA -0.230 3.890 4.120 0.000 0.000 0.246 114 V C 1.884 178.027 176.094 0.081 0.000 1.047 114 V CA 1.707 64.028 62.300 0.035 0.000 1.035 114 V CB -0.610 31.188 31.823 -0.042 0.000 0.658 114 V HN 0.345 nan 8.190 nan 0.000 0.452 115 F N 2.123 122.060 119.950 -0.022 0.000 2.102 115 F HA -0.072 4.455 4.527 0.000 0.000 0.298 115 F C 2.203 178.041 175.800 0.063 0.000 1.105 115 F CA 1.869 59.876 58.000 0.012 0.000 1.239 115 F CB -0.827 38.168 39.000 -0.009 0.000 0.991 115 F HN 0.140 nan 8.300 nan 0.000 0.474 116 G N -0.119 108.789 108.800 0.181 0.000 2.440 116 G HA2 -0.276 3.684 3.960 0.000 0.000 0.218 116 G HA3 -0.276 3.684 3.960 0.000 0.000 0.218 116 G C 1.783 176.640 174.900 -0.072 0.000 1.154 116 G CA 0.939 46.068 45.100 0.048 0.000 0.767 116 G HN 0.645 nan 8.290 nan 0.000 0.552 117 A N 0.853 123.657 122.820 -0.027 0.000 1.898 117 A HA 0.001 4.321 4.320 0.000 0.000 0.216 117 A C 2.113 179.653 177.584 -0.074 0.000 1.181 117 A CA 2.036 54.053 52.037 -0.033 0.000 0.620 117 A CB -0.370 18.631 19.000 0.001 0.000 0.819 117 A HN 0.272 nan 8.150 nan 0.000 0.442 118 D N 0.305 120.643 120.400 -0.104 0.000 2.084 118 D HA -0.077 4.563 4.640 0.000 0.000 0.194 118 D C 2.286 178.471 176.300 -0.192 0.000 0.990 118 D CA 1.678 55.607 54.000 -0.119 0.000 0.826 118 D CB -0.568 40.172 40.800 -0.100 0.000 0.971 118 D HN 0.392 nan 8.370 nan 0.000 0.453 119 A N 0.739 123.336 122.820 -0.372 0.000 1.883 119 A HA -0.225 4.095 4.320 0.000 0.000 0.217 119 A C 2.186 179.658 177.584 -0.186 0.000 1.186 119 A CA 2.178 53.993 52.037 -0.370 0.000 0.624 119 A CB -0.669 17.959 19.000 -0.620 0.000 0.822 119 A HN 0.195 nan 8.150 nan 0.000 0.444 120 M N -0.430 119.081 119.600 -0.148 0.000 2.202 120 M HA -0.097 4.383 4.480 0.000 0.000 0.262 120 M C 1.742 178.007 176.300 -0.058 0.000 1.063 120 M CA 1.580 56.833 55.300 -0.080 0.000 1.097 120 M CB -0.342 32.226 32.600 -0.054 0.000 1.382 120 M HN 0.359 nan 8.290 nan 0.000 0.413 121 R N -0.173 120.290 120.500 -0.060 0.000 2.310 121 R HA 0.261 4.601 4.340 0.000 0.000 0.202 121 R C 1.153 177.431 176.300 -0.037 0.000 0.933 121 R CA 0.344 56.420 56.100 -0.039 0.000 1.054 121 R CB -0.395 29.886 30.300 -0.030 0.000 0.985 121 R HN 0.451 nan 8.270 nan 0.000 0.489 122 G N 0.943 109.712 108.800 -0.051 0.000 2.525 122 G HA2 0.132 4.092 3.960 0.000 0.000 0.287 122 G HA3 0.132 4.092 3.960 0.000 0.000 0.287 122 G C -1.447 173.436 174.900 -0.029 0.000 1.350 122 G CA -0.962 44.114 45.100 -0.040 0.000 1.039 122 G HN -0.036 nan 8.290 nan 0.000 0.513 123 P HA 0.031 nan 4.420 nan 0.000 0.229 123 P C 1.167 178.458 177.300 -0.014 0.000 1.160 123 P CA 0.561 63.653 63.100 -0.014 0.000 0.777 123 P CB 0.421 32.116 31.700 -0.008 0.000 0.814 124 R N -0.883 119.606 120.500 -0.019 0.000 2.265 124 R HA 0.194 4.535 4.340 0.000 0.000 0.194 124 R C 1.676 177.963 176.300 -0.021 0.000 0.931 124 R CA 0.767 56.857 56.100 -0.016 0.000 1.032 124 R CB -0.366 29.928 30.300 -0.011 0.000 0.980 124 R HN 0.191 nan 8.270 nan 0.000 0.497 125 G N 2.045 110.826 108.800 -0.032 0.000 2.622 125 G HA2 -0.385 3.575 3.960 0.000 0.000 0.307 125 G HA3 -0.385 3.575 3.960 0.000 0.000 0.307 125 G C 0.890 175.769 174.900 -0.034 0.000 1.226 125 G CA 0.518 45.598 45.100 -0.034 0.000 0.997 125 G HN 0.239 nan 8.290 nan 0.000 0.551 126 L N 0.568 121.777 121.223 -0.023 0.000 2.083 126 L HA -0.032 4.308 4.340 0.000 0.000 0.209 126 L C 2.988 179.851 176.870 -0.012 0.000 1.083 126 L CA 1.992 56.821 54.840 -0.018 0.000 0.752 126 L CB -0.425 41.625 42.059 -0.015 0.000 0.899 126 L HN 0.508 nan 8.230 nan 0.000 0.433 127 K N -0.189 120.205 120.400 -0.010 0.000 2.283 127 K HA -0.090 4.231 4.320 0.000 0.000 0.202 127 K C 2.095 178.705 176.600 0.017 0.000 1.048 127 K CA 1.079 57.366 56.287 -0.001 0.000 0.948 127 K CB -0.071 32.428 32.500 -0.001 0.000 0.742 127 K HN 0.294 nan 8.250 nan 0.000 0.458 128 A N 0.712 123.536 122.820 0.006 0.000 1.975 128 A HA -0.031 4.289 4.320 0.000 0.000 0.215 128 A C 2.249 179.863 177.584 0.050 0.000 1.170 128 A CA 0.629 52.677 52.037 0.019 0.000 0.656 128 A CB -0.219 18.754 19.000 -0.045 0.000 0.821 128 A HN 0.024 nan 8.150 nan 0.000 0.449 129 V N -0.271 119.649 119.914 0.010 0.000 2.295 129 V HA 0.143 4.263 4.120 0.000 0.000 0.246 129 V C 1.669 177.882 176.094 0.197 0.000 1.049 129 V CA 1.237 63.583 62.300 0.077 0.000 1.024 129 V CB -1.917 29.922 31.823 0.027 0.000 0.648 129 V HN 1.210 nan 8.190 nan 0.000 0.447 130 G N 0.459 109.307 108.800 0.080 0.000 2.814 130 G HA2 -0.145 3.815 3.960 0.000 0.000 0.677 130 G HA3 -0.145 3.815 3.960 0.000 0.000 0.677 130 G C -1.691 173.152 174.900 -0.094 0.000 1.429 130 G CA -0.093 45.011 45.100 0.007 0.000 0.868 130 G HN 0.343 nan 8.290 nan 0.000 0.553 131 P HA 0.244 nan 4.420 nan 0.000 0.257 131 P C 0.217 177.224 177.300 -0.489 0.000 1.325 131 P CA 0.660 63.509 63.100 -0.419 0.000 0.850 131 P CB -0.005 31.368 31.700 -0.545 0.000 1.324 132 Y N -1.724 118.532 120.300 -0.074 0.000 2.481 132 Y HA 0.119 4.669 4.550 0.000 0.000 0.247 132 Y C 2.196 178.025 175.900 -0.119 0.000 1.151 132 Y CA -0.177 57.836 58.100 -0.146 0.000 1.238 132 Y CB -0.344 37.930 38.460 -0.310 0.000 1.179 132 Y HN -0.272 nan 8.280 nan 0.000 0.524 133 V N -1.168 118.783 119.914 0.063 0.000 2.548 133 V HA -0.204 3.916 4.120 0.000 0.000 0.249 133 V C 2.099 178.228 176.094 0.058 0.000 1.055 133 V CA 1.413 63.750 62.300 0.061 0.000 1.065 133 V CB -0.659 31.279 31.823 0.192 0.000 0.681 133 V HN 0.205 nan 8.190 nan 0.000 0.462 134 V N 1.219 121.175 119.914 0.071 0.000 2.255 134 V HA -0.287 3.833 4.120 0.000 0.000 0.247 134 V C 2.817 178.951 176.094 0.067 0.000 1.051 134 V CA 2.726 65.067 62.300 0.070 0.000 1.018 134 V CB -1.297 30.566 31.823 0.066 0.000 0.641 134 V HN 0.815 nan 8.190 nan 0.000 0.445 135 T N -2.079 112.532 114.554 0.095 0.000 2.962 135 T HA -0.153 4.197 4.350 0.000 0.000 0.270 135 T C 1.724 176.439 174.700 0.025 0.000 1.088 135 T CA 1.230 63.384 62.100 0.089 0.000 1.127 135 T CB -0.226 68.761 68.868 0.199 0.000 0.883 135 T HN 0.481 nan 8.240 nan 0.000 0.493 136 K N 1.173 121.543 120.400 -0.050 0.000 2.044 136 K HA 0.322 4.642 4.320 0.000 0.000 0.204 136 K C 2.754 179.355 176.600 0.002 0.000 1.049 136 K CA 1.003 57.199 56.287 -0.153 0.000 0.945 136 K CB -0.242 31.907 32.500 -0.586 0.000 0.724 136 K HN 0.396 nan 8.250 nan 0.000 0.440 137 A N 2.081 124.935 122.820 0.057 0.000 1.975 137 A HA 0.029 4.349 4.320 0.000 0.000 0.215 137 A C 1.329 178.962 177.584 0.081 0.000 1.170 137 A CA 0.161 52.265 52.037 0.113 0.000 0.656 137 A CB -0.511 18.570 19.000 0.135 0.000 0.821 137 A HN 0.367 nan 8.150 nan 0.000 0.449 138 M N -1.573 118.064 119.600 0.063 0.000 2.252 138 M HA 0.479 4.959 4.480 0.000 0.000 0.333 138 M C 0.840 177.173 176.300 0.056 0.000 1.111 138 M CA 0.468 55.801 55.300 0.056 0.000 1.140 138 M CB 0.642 33.272 32.600 0.049 0.000 1.538 138 M HN 0.049 nan 8.290 nan 0.000 0.448 139 A N 1.927 124.780 122.820 0.055 0.000 2.121 139 A HA -0.049 4.271 4.320 0.000 0.000 0.218 139 A C 1.927 179.548 177.584 0.061 0.000 1.154 139 A CA 1.458 53.530 52.037 0.058 0.000 0.679 139 A CB -0.775 18.258 19.000 0.054 0.000 0.795 139 A HN 1.001 nan 8.150 nan 0.000 0.458 140 S N -1.354 114.382 115.700 0.059 0.000 2.572 140 S HA 0.303 4.773 4.470 0.000 0.000 0.228 140 S C 1.631 176.265 174.600 0.057 0.000 0.963 140 S CA 0.592 58.831 58.200 0.066 0.000 0.939 140 S CB -0.184 63.057 63.200 0.068 0.000 0.804 140 S HN 0.499 nan 8.310 nan 0.000 0.480 141 G N 2.179 111.010 108.800 0.051 0.000 2.469 141 G HA2 -0.189 3.771 3.960 0.000 0.000 0.219 141 G HA3 -0.189 3.771 3.960 0.000 0.000 0.219 141 G C 1.301 176.229 174.900 0.046 0.000 1.150 141 G CA 1.256 46.381 45.100 0.041 0.000 0.763 141 G HN 0.472 nan 8.290 nan 0.000 0.561 142 V N 1.778 121.725 119.914 0.054 0.000 2.332 142 V HA -0.224 3.896 4.120 0.000 0.000 0.248 142 V C 3.275 179.411 176.094 0.069 0.000 1.055 142 V CA 2.506 64.844 62.300 0.064 0.000 1.038 142 V CB -0.551 31.310 31.823 0.063 0.000 0.651 142 V HN 0.641 nan 8.190 nan 0.000 0.450 143 S N 0.804 116.541 115.700 0.063 0.000 2.377 143 S HA -0.046 4.424 4.470 0.000 0.000 0.223 143 S C 2.146 176.782 174.600 0.060 0.000 1.030 143 S CA 1.079 59.314 58.200 0.057 0.000 0.970 143 S CB -0.517 62.716 63.200 0.056 0.000 0.830 143 S HN 0.542 nan 8.310 nan 0.000 0.473 144 A N 0.998 123.847 122.820 0.048 0.000 1.908 144 A HA -0.085 4.235 4.320 0.000 0.000 0.218 144 A C 2.430 180.020 177.584 0.010 0.000 1.181 144 A CA 1.635 53.685 52.037 0.022 0.000 0.627 144 A CB -1.536 17.468 19.000 0.006 0.000 0.818 144 A HN 0.707 nan 8.150 nan 0.000 0.445 145 C N -0.737 118.581 119.300 0.031 0.000 2.448 145 C HA 0.128 4.588 4.460 0.000 0.000 0.280 145 C C 2.439 177.506 174.990 0.129 0.000 1.398 145 C CA 0.692 59.732 59.018 0.037 0.000 1.774 145 C CB -1.304 26.459 27.740 0.039 0.000 1.888 145 C HN 0.583 nan 8.230 nan 0.000 0.519 146 L N 0.218 121.553 121.223 0.188 0.000 2.286 146 L HA 0.122 4.462 4.340 0.000 0.000 0.203 146 L C 2.880 179.939 176.870 0.315 0.000 1.068 146 L CA 1.067 56.116 54.840 0.348 0.000 0.811 146 L CB -1.124 41.104 42.059 0.282 0.000 0.989 146 L HN 0.186 nan 8.230 nan 0.000 0.467 147 A N 0.601 123.522 122.820 0.168 0.000 1.908 147 A HA -0.205 4.115 4.320 0.000 0.000 0.218 147 A C 2.354 180.021 177.584 0.139 0.000 1.181 147 A CA 2.563 54.685 52.037 0.142 0.000 0.627 147 A CB -0.898 18.154 19.000 0.086 0.000 0.818 147 A HN 0.375 nan 8.150 nan 0.000 0.445 148 T N 0.344 114.944 114.554 0.077 0.000 2.639 148 T HA -0.066 4.284 4.350 0.000 0.000 0.261 148 T C -0.088 174.625 174.700 0.021 0.000 1.053 148 T CA 1.670 63.785 62.100 0.024 0.000 1.158 148 T CB -1.156 67.673 68.868 -0.064 0.000 0.863 148 T HN 0.492 nan 8.240 nan 0.000 0.413 149 P HA -0.020 nan 4.420 nan 0.000 0.220 149 P C 0.788 177.994 177.300 -0.156 0.000 1.148 149 P CA 1.079 64.116 63.100 -0.105 0.000 0.803 149 P CB -0.281 31.336 31.700 -0.138 0.000 0.782 150 F N -0.226 119.765 119.950 0.067 0.000 2.804 150 F HA 0.177 4.705 4.527 0.000 0.000 0.303 150 F C 0.891 176.737 175.800 0.078 0.000 1.154 150 F CA 0.182 58.223 58.000 0.069 0.000 1.401 150 F CB -0.756 38.221 39.000 -0.040 0.000 1.106 150 F HN -0.208 nan 8.300 nan 0.000 0.568 151 K N 0.288 120.785 120.400 0.161 0.000 3.096 151 K HA -0.178 4.142 4.320 0.000 0.000 0.266 151 K C -0.577 176.100 176.600 0.128 0.000 1.043 151 K CA 0.173 56.515 56.287 0.091 0.000 0.758 151 K CB -1.738 30.741 32.500 -0.036 0.000 1.260 151 K HN 0.076 nan 8.250 nan 0.000 0.481 152 I N 0.831 121.530 120.570 0.215 0.000 2.496 152 I HA -0.008 4.162 4.170 0.000 0.000 0.285 152 I C 1.794 178.099 176.117 0.313 0.000 1.080 152 I CA 0.498 61.937 61.300 0.231 0.000 1.404 152 I CB 0.703 38.820 38.000 0.196 0.000 1.403 152 I HN 0.336 nan 8.210 nan 0.000 0.539 153 H N 3.461 122.577 119.070 0.076 0.000 2.729 153 H HA 0.141 4.697 4.556 0.000 0.000 0.263 153 H C 1.447 176.798 175.328 0.038 0.000 0.961 153 H CA 0.186 56.262 56.048 0.047 0.000 1.217 153 H CB 1.284 31.068 29.762 0.036 0.000 1.447 153 H HN 0.764 nan 8.280 nan 0.000 0.496 154 G N 1.184 110.075 108.800 0.152 0.000 2.679 154 G HA2 0.149 4.110 3.960 0.000 0.000 0.202 154 G HA3 0.149 4.110 3.960 0.000 0.000 0.202 154 G C 0.235 175.160 174.900 0.042 0.000 1.566 154 G CA 0.218 45.363 45.100 0.074 0.000 1.074 154 G HN 0.138 nan 8.290 nan 0.000 0.564 155 V N -0.811 119.102 119.914 -0.002 0.000 2.963 155 V HA 0.464 4.584 4.120 0.000 0.000 0.306 155 V C -0.199 175.831 176.094 -0.105 0.000 1.077 155 V CA -0.238 62.031 62.300 -0.051 0.000 1.124 155 V CB 1.247 32.976 31.823 -0.156 0.000 0.987 155 V HN 0.761 nan 8.190 nan 0.000 0.487 156 N N 3.212 121.852 118.700 -0.100 0.000 2.747 156 N HA 0.462 5.202 4.740 0.000 0.000 0.262 156 N C -1.256 174.278 175.510 0.040 0.000 1.261 156 N CA -0.565 52.450 53.050 -0.059 0.000 0.809 156 N CB 1.075 39.582 38.487 0.034 0.000 1.450 156 N HN 1.015 nan 8.380 nan 0.000 0.560 157 Y N -1.004 119.316 120.300 0.034 0.000 2.779 157 Y HA 0.685 5.235 4.550 0.000 0.000 0.340 157 Y C -1.267 174.651 175.900 0.030 0.000 1.252 157 Y CA -1.167 56.950 58.100 0.028 0.000 1.072 157 Y CB 0.360 38.833 38.460 0.022 0.000 1.343 157 Y HN 0.089 nan 8.280 nan 0.000 0.450 158 S N 2.191 118.074 115.700 0.304 0.000 2.472 158 S HA 0.671 5.141 4.470 0.000 0.000 0.303 158 S C -0.694 174.047 174.600 0.236 0.000 1.099 158 S CA -0.706 57.612 58.200 0.198 0.000 1.077 158 S CB 0.909 64.184 63.200 0.125 0.000 1.031 158 S HN 0.470 nan 8.310 nan 0.000 0.487 159 I N 2.280 122.968 120.570 0.196 0.000 2.532 159 I HA 0.481 4.651 4.170 0.000 0.000 0.292 159 I C 0.565 176.751 176.117 0.114 0.000 1.014 159 I CA -0.232 61.159 61.300 0.151 0.000 1.340 159 I CB 1.354 39.452 38.000 0.162 0.000 1.422 159 I HN 0.556 nan 8.210 nan 0.000 0.528 160 S N 2.906 118.659 115.700 0.089 0.000 2.614 160 S HA 0.613 5.083 4.470 0.000 0.000 0.288 160 S C -0.391 174.261 174.600 0.087 0.000 1.137 160 S CA -0.361 57.892 58.200 0.088 0.000 0.992 160 S CB 0.917 64.161 63.200 0.073 0.000 1.026 160 S HN 0.720 nan 8.310 nan 0.000 0.486 161 S N 2.938 118.712 115.700 0.122 0.000 2.646 161 S HA 0.606 5.076 4.470 0.000 0.000 0.217 161 S C 0.681 175.365 174.600 0.141 0.000 0.836 161 S CA 0.139 58.426 58.200 0.146 0.000 1.094 161 S CB -0.243 63.102 63.200 0.241 0.000 1.557 161 S HN 2.015 nan 8.310 nan 0.000 0.449 162 A N 0.857 123.741 122.820 0.106 0.000 5.318 162 A HA -0.357 3.963 4.320 0.000 0.000 0.329 162 A C 1.743 179.346 177.584 0.031 0.000 1.789 162 A CA 1.532 53.609 52.037 0.067 0.000 0.711 162 A CB -2.225 16.814 19.000 0.065 0.000 1.398 162 A HN 1.504 nan 8.150 nan 0.000 0.392 163 C N 0.282 119.581 119.300 -0.002 0.000 2.472 163 C HA 0.398 4.858 4.460 0.000 0.000 0.278 163 C C 2.758 177.759 174.990 0.019 0.000 1.447 163 C CA 1.035 60.080 59.018 0.046 0.000 1.773 163 C CB -1.762 26.081 27.740 0.171 0.000 1.793 163 C HN 1.282 nan 8.230 nan 0.000 0.544 164 A N 0.261 123.088 122.820 0.011 0.000 2.308 164 A HA 0.114 4.434 4.320 0.000 0.000 0.217 164 A C 1.937 179.530 177.584 0.015 0.000 1.216 164 A CA 0.896 52.899 52.037 -0.056 0.000 0.864 164 A CB -0.610 18.370 19.000 -0.033 0.000 0.902 164 A HN 0.454 nan 8.150 nan 0.000 0.499 165 T N 1.429 116.037 114.554 0.089 0.000 2.565 165 T HA -0.257 4.093 4.350 0.000 0.000 0.265 165 T C 2.296 177.044 174.700 0.081 0.000 1.082 165 T CA 2.652 64.824 62.100 0.121 0.000 1.173 165 T CB -0.500 68.416 68.868 0.081 0.000 0.864 165 T HN 0.801 nan 8.240 nan 0.000 0.425 166 S N 1.566 117.275 115.700 0.015 0.000 2.453 166 S HA 0.191 4.661 4.470 0.000 0.000 0.231 166 S C 2.325 176.888 174.600 -0.061 0.000 1.005 166 S CA 0.762 58.951 58.200 -0.018 0.000 0.949 166 S CB -0.459 62.717 63.200 -0.040 0.000 0.774 166 S HN 0.549 nan 8.310 nan 0.000 0.510 167 A N 1.966 124.727 122.820 -0.099 0.000 1.898 167 A HA -0.057 4.263 4.320 0.000 0.000 0.216 167 A C 1.937 179.432 177.584 -0.147 0.000 1.181 167 A CA 1.528 53.469 52.037 -0.160 0.000 0.620 167 A CB -1.115 17.748 19.000 -0.230 0.000 0.819 167 A HN 0.688 nan 8.150 nan 0.000 0.442 168 H N -1.672 117.407 119.070 0.016 0.000 2.423 168 H HA -0.114 4.442 4.556 0.000 0.000 0.297 168 H C 2.178 177.486 175.328 -0.034 0.000 1.075 168 H CA 1.234 57.316 56.048 0.056 0.000 1.342 168 H CB -0.193 29.638 29.762 0.115 0.000 1.395 168 H HN 0.537 nan 8.280 nan 0.000 0.530 169 C N 0.190 119.534 119.300 0.073 0.000 2.432 169 C HA -0.134 4.326 4.460 0.000 0.000 0.277 169 C C 2.680 177.616 174.990 -0.091 0.000 1.249 169 C CA 0.834 59.857 59.018 0.008 0.000 1.725 169 C CB -0.794 26.947 27.740 0.002 0.000 2.028 169 C HN 0.529 nan 8.230 nan 0.000 0.477 170 I N 0.981 121.463 120.570 -0.146 0.000 2.252 170 I HA -0.095 4.075 4.170 0.000 0.000 0.245 170 I C 2.732 178.643 176.117 -0.343 0.000 1.102 170 I CA 1.765 62.941 61.300 -0.207 0.000 1.385 170 I CB -0.930 36.954 38.000 -0.193 0.000 1.064 170 I HN 0.441 nan 8.210 nan 0.000 0.414 171 G N 0.634 109.074 108.800 -0.600 0.000 2.440 171 G HA2 -0.253 3.707 3.960 0.000 0.000 0.218 171 G HA3 -0.253 3.707 3.960 0.000 0.000 0.218 171 G C 1.471 175.983 174.900 -0.647 0.000 1.154 171 G CA 0.736 45.019 45.100 -1.362 0.000 0.767 171 G HN 0.351 nan 8.290 nan 0.000 0.552 172 N N 0.922 119.469 118.700 -0.255 0.000 2.188 172 N HA -0.088 4.652 4.740 0.000 0.000 0.184 172 N C 2.639 178.118 175.510 -0.052 0.000 1.018 172 N CA 0.984 54.021 53.050 -0.022 0.000 0.858 172 N CB -0.133 38.415 38.487 0.102 0.000 0.989 172 N HN 0.314 nan 8.380 nan 0.000 0.426 173 A N 1.124 123.874 122.820 -0.116 0.000 1.908 173 A HA -0.114 4.207 4.320 0.000 0.000 0.218 173 A C 2.514 180.030 177.584 -0.112 0.000 1.181 173 A CA 1.292 53.255 52.037 -0.123 0.000 0.627 173 A CB -0.843 18.067 19.000 -0.149 0.000 0.818 173 A HN 0.098 nan 8.150 nan 0.000 0.445 174 V N 0.174 120.006 119.914 -0.137 0.000 2.287 174 V HA -0.316 3.804 4.120 0.000 0.000 0.248 174 V C 2.405 178.478 176.094 -0.035 0.000 1.053 174 V CA 2.401 64.644 62.300 -0.095 0.000 1.027 174 V CB -0.982 30.773 31.823 -0.114 0.000 0.646 174 V HN 0.657 nan 8.190 nan 0.000 0.447 175 E N -0.479 119.718 120.200 -0.004 0.000 2.118 175 E HA -0.266 4.084 4.350 0.000 0.000 0.195 175 E C 2.383 178.998 176.600 0.025 0.000 0.992 175 E CA 1.256 57.685 56.400 0.047 0.000 0.804 175 E CB -0.175 29.584 29.700 0.099 0.000 0.741 175 E HN 0.571 nan 8.360 nan 0.000 0.458 176 Q N 0.168 119.971 119.800 0.004 0.000 2.124 176 Q HA -0.143 4.197 4.340 0.000 0.000 0.202 176 Q C 2.286 178.272 176.000 -0.023 0.000 0.977 176 Q CA 0.994 56.794 55.803 -0.005 0.000 0.850 176 Q CB -0.197 28.524 28.738 -0.028 0.000 0.901 176 Q HN 0.304 nan 8.270 nan 0.000 0.429 177 I N 1.053 121.598 120.570 -0.041 0.000 2.202 177 I HA -0.273 3.898 4.170 0.000 0.000 0.242 177 I C 2.448 178.553 176.117 -0.020 0.000 1.091 177 I CA 1.300 62.573 61.300 -0.045 0.000 1.368 177 I CB -0.310 37.654 38.000 -0.061 0.000 1.058 177 I HN 0.194 nan 8.210 nan 0.000 0.410 178 Q N -0.201 119.596 119.800 -0.005 0.000 2.135 178 Q HA -0.162 4.178 4.340 0.000 0.000 0.204 178 Q C 2.109 178.116 176.000 0.012 0.000 0.981 178 Q CA 1.284 57.092 55.803 0.009 0.000 0.856 178 Q CB -0.214 28.540 28.738 0.027 0.000 0.902 178 Q HN 0.484 nan 8.270 nan 0.000 0.425 179 L N -0.721 120.510 121.223 0.013 0.000 2.599 179 L HA 0.072 4.412 4.340 0.000 0.000 0.230 179 L C 1.159 178.034 176.870 0.008 0.000 1.141 179 L CA 0.372 55.221 54.840 0.015 0.000 0.877 179 L CB -0.131 41.941 42.059 0.023 0.000 1.009 179 L HN 0.418 nan 8.230 nan 0.000 0.447 180 G N 0.187 108.987 108.800 -0.001 0.000 2.155 180 G HA2 -0.340 3.620 3.960 0.000 0.000 0.257 180 G HA3 -0.340 3.620 3.960 0.000 0.000 0.257 180 G C 1.019 175.914 174.900 -0.008 0.000 0.983 180 G CA 0.676 45.773 45.100 -0.005 0.000 0.676 180 G HN 0.416 nan 8.290 nan 0.000 0.528 181 K N -0.861 119.535 120.400 -0.007 0.000 2.305 181 K HA 0.105 4.426 4.320 0.000 0.000 0.199 181 K C 0.901 177.488 176.600 -0.021 0.000 1.047 181 K CA 0.779 57.063 56.287 -0.005 0.000 0.976 181 K CB 0.100 32.605 32.500 0.010 0.000 0.765 181 K HN 0.435 nan 8.250 nan 0.000 0.474 182 Q N -0.209 119.564 119.800 -0.045 0.000 2.379 182 Q HA 0.132 4.472 4.340 0.000 0.000 0.278 182 Q C -0.621 175.305 176.000 -0.124 0.000 1.068 182 Q CA -0.356 55.400 55.803 -0.079 0.000 0.816 182 Q CB 2.024 30.710 28.738 -0.086 0.000 1.387 182 Q HN -0.058 nan 8.270 nan 0.000 0.413 183 D N 0.449 120.733 120.400 -0.193 0.000 2.277 183 D HA 0.231 4.871 4.640 0.000 0.000 0.209 183 D C 0.293 176.381 176.300 -0.354 0.000 0.970 183 D CA 0.920 54.726 54.000 -0.324 0.000 0.874 183 D CB 1.114 41.551 40.800 -0.604 0.000 0.982 183 D HN 0.371 nan 8.370 nan 0.000 0.504 184 I N 0.621 120.999 120.570 -0.321 0.000 2.569 184 I HA 0.244 4.414 4.170 0.000 0.000 0.290 184 I C -1.161 174.750 176.117 -0.343 0.000 1.088 184 I CA -0.760 60.323 61.300 -0.361 0.000 1.047 184 I CB 3.290 41.035 38.000 -0.425 0.000 1.237 184 I HN -0.410 nan 8.210 nan 0.000 0.421 185 V N 6.061 125.747 119.914 -0.379 0.000 2.525 185 V HA 0.387 4.507 4.120 0.000 0.000 0.299 185 V C -0.613 175.247 176.094 -0.390 0.000 1.034 185 V CA -0.617 61.498 62.300 -0.307 0.000 0.863 185 V CB 1.615 33.321 31.823 -0.194 0.000 0.999 185 V HN 0.378 nan 8.190 nan 0.000 0.423 186 F N 3.477 123.325 119.950 -0.170 0.000 2.472 186 F HA 0.629 5.156 4.527 0.000 0.000 0.364 186 F C 0.772 176.468 175.800 -0.174 0.000 1.090 186 F CA 0.081 57.962 58.000 -0.198 0.000 1.188 186 F CB 0.937 39.780 39.000 -0.263 0.000 1.105 186 F HN 0.569 nan 8.300 nan 0.000 0.536 187 A N 2.658 125.467 122.820 -0.019 0.000 2.371 187 A HA 0.926 5.246 4.320 0.000 0.000 0.311 187 A C -0.010 177.540 177.584 -0.056 0.000 1.068 187 A CA 0.109 52.111 52.037 -0.059 0.000 0.744 187 A CB 1.422 20.360 19.000 -0.104 0.000 1.239 187 A HN 1.009 nan 8.150 nan 0.000 0.435 188 G N -0.090 108.681 108.800 -0.047 0.000 2.512 188 G HA2 0.730 4.690 3.960 0.000 0.000 0.181 188 G HA3 0.730 4.690 3.960 0.000 0.000 0.181 188 G C -0.136 174.750 174.900 -0.022 0.000 1.173 188 G CA 0.428 45.498 45.100 -0.049 0.000 0.988 188 G HN 2.294 nan 8.290 nan 0.000 0.485 189 G N -2.078 106.716 108.800 -0.010 0.000 2.349 189 G HA2 0.791 4.751 3.960 0.000 0.000 0.294 189 G HA3 0.791 4.751 3.960 0.000 0.000 0.294 189 G C -0.580 174.345 174.900 0.042 0.000 1.380 189 G CA 0.603 45.715 45.100 0.019 0.000 0.811 189 G HN 1.990 nan 8.290 nan 0.000 0.519 190 G N -1.282 107.559 108.800 0.069 0.000 2.690 190 G HA2 0.687 4.647 3.960 0.000 0.000 0.291 190 G HA3 0.687 4.647 3.960 0.000 0.000 0.291 190 G C -1.890 173.079 174.900 0.116 0.000 1.403 190 G CA -0.362 44.809 45.100 0.120 0.000 0.864 190 G HN 0.674 nan 8.290 nan 0.000 0.480 191 E N -0.274 120.031 120.200 0.176 0.000 2.321 191 E HA 0.335 4.686 4.350 0.000 0.000 0.281 191 E C -0.286 176.436 176.600 0.203 0.000 0.910 191 E CA -0.677 55.804 56.400 0.135 0.000 0.770 191 E CB 1.535 31.278 29.700 0.072 0.000 1.225 191 E HN 0.703 nan 8.360 nan 0.000 0.417 192 E N 3.201 123.474 120.200 0.123 0.000 2.374 192 E HA 0.348 4.698 4.350 0.000 0.000 0.260 192 E C -0.769 175.885 176.600 0.091 0.000 1.101 192 E CA -0.754 55.709 56.400 0.106 0.000 0.907 192 E CB 1.081 30.796 29.700 0.025 0.000 1.014 192 E HN 0.254 nan 8.360 nan 0.000 0.427 193 L N 3.260 124.517 121.223 0.057 0.000 2.343 193 L HA 0.454 4.795 4.340 0.000 0.000 0.278 193 L C -1.301 175.596 176.870 0.044 0.000 0.996 193 L CA -0.360 54.482 54.840 0.003 0.000 0.831 193 L CB 0.779 42.716 42.059 -0.202 0.000 1.232 193 L HN 0.926 nan 8.230 nan 0.000 0.413 194 C N 2.273 121.666 119.300 0.155 0.000 3.284 194 C HA 0.415 4.875 4.460 0.000 0.000 0.338 194 C C 1.045 176.139 174.990 0.172 0.000 1.237 194 C CA -0.959 58.148 59.018 0.148 0.000 1.276 194 C CB 0.565 28.253 27.740 -0.085 0.000 1.601 194 C HN 1.055 nan 8.230 nan 0.000 0.494 195 W N 0.980 122.393 121.300 0.189 0.000 2.374 195 W HA 0.015 4.675 4.660 0.000 0.000 0.288 195 W C 1.057 177.641 176.519 0.108 0.000 1.218 195 W CA 1.816 59.236 57.345 0.125 0.000 1.245 195 W CB -1.000 28.495 29.460 0.058 0.000 1.126 195 W HN 0.888 nan 8.180 nan 0.000 0.545 196 E N 0.881 120.529 120.200 -0.921 0.000 2.070 196 E HA -0.269 4.081 4.350 0.000 0.000 0.197 196 E C 2.346 178.816 176.600 -0.217 0.000 1.004 196 E CA 2.818 58.698 56.400 -0.866 0.000 0.805 196 E CB -0.672 28.527 29.700 -0.835 0.000 0.744 196 E HN 0.344 nan 8.360 nan 0.000 0.451 197 M N -0.652 118.907 119.600 -0.069 0.000 2.248 197 M HA 0.056 4.537 4.480 0.000 0.000 0.265 197 M C 2.084 178.550 176.300 0.276 0.000 1.079 197 M CA 1.321 56.686 55.300 0.109 0.000 1.150 197 M CB 0.100 32.799 32.600 0.164 0.000 1.366 197 M HN 0.162 nan 8.290 nan 0.000 0.433 198 A N 0.181 123.178 122.820 0.296 0.000 1.933 198 A HA -0.214 4.106 4.320 0.000 0.000 0.218 198 A C 2.303 180.082 177.584 0.325 0.000 1.175 198 A CA 1.711 53.968 52.037 0.366 0.000 0.628 198 A CB -1.659 17.521 19.000 0.300 0.000 0.814 198 A HN 0.863 nan 8.150 nan 0.000 0.444 199 C N -0.689 118.779 119.300 0.279 0.000 2.419 199 C HA -0.013 4.447 4.460 0.000 0.000 0.281 199 C C 2.132 177.219 174.990 0.163 0.000 1.336 199 C CA 0.928 60.086 59.018 0.233 0.000 1.770 199 C CB -1.476 26.445 27.740 0.303 0.000 1.929 199 C HN 0.650 nan 8.230 nan 0.000 0.509 200 E N 0.546 120.818 120.200 0.120 0.000 2.072 200 E HA -0.082 4.269 4.350 0.000 0.000 0.191 200 E C 1.764 178.330 176.600 -0.058 0.000 0.985 200 E CA 1.438 57.826 56.400 -0.019 0.000 0.801 200 E CB -0.311 29.301 29.700 -0.147 0.000 0.750 200 E HN 0.792 nan 8.360 nan 0.000 0.452 201 F N 1.063 121.096 119.950 0.138 0.000 2.206 201 F HA -0.131 4.397 4.527 0.000 0.000 0.298 201 F C 2.245 178.076 175.800 0.052 0.000 1.090 201 F CA 0.879 58.966 58.000 0.146 0.000 1.323 201 F CB -0.043 39.045 39.000 0.146 0.000 1.028 201 F HN -0.033 nan 8.300 nan 0.000 0.492 202 D N 0.379 120.904 120.400 0.208 0.000 2.144 202 D HA -0.135 4.505 4.640 0.000 0.000 0.199 202 D C 2.219 178.568 176.300 0.081 0.000 0.984 202 D CA 1.198 55.260 54.000 0.103 0.000 0.834 202 D CB -0.212 40.644 40.800 0.094 0.000 0.955 202 D HN 0.166 nan 8.370 nan 0.000 0.465 203 A N 0.510 123.379 122.820 0.081 0.000 2.125 203 A HA -0.098 4.222 4.320 0.000 0.000 0.219 203 A C 2.140 179.749 177.584 0.041 0.000 1.156 203 A CA 1.534 53.603 52.037 0.053 0.000 0.671 203 A CB -0.704 18.323 19.000 0.045 0.000 0.794 203 A HN 0.510 nan 8.150 nan 0.000 0.459 204 M N -3.578 116.056 119.600 0.057 0.000 2.371 204 M HA 0.470 4.950 4.480 0.000 0.000 0.246 204 M C 1.021 177.360 176.300 0.065 0.000 1.103 204 M CA 0.661 55.990 55.300 0.048 0.000 1.010 204 M CB 0.236 32.859 32.600 0.038 0.000 1.457 204 M HN 0.565 nan 8.290 nan 0.000 0.486 205 G N 0.927 109.767 108.800 0.067 0.000 2.147 205 G HA2 -0.266 3.694 3.960 0.000 0.000 0.244 205 G HA3 -0.266 3.694 3.960 0.000 0.000 0.244 205 G C 0.768 175.708 174.900 0.068 0.000 1.005 205 G CA 0.366 45.498 45.100 0.053 0.000 0.713 205 G HN 0.754 nan 8.290 nan 0.000 0.515 206 A N -0.874 122.009 122.820 0.105 0.000 2.123 206 A HA 0.632 4.952 4.320 0.000 0.000 0.214 206 A C 1.284 178.732 177.584 -0.226 0.000 1.152 206 A CA 0.737 52.846 52.037 0.121 0.000 0.728 206 A CB 0.114 19.383 19.000 0.448 0.000 0.814 206 A HN 0.638 nan 8.150 nan 0.000 0.464 207 L N 0.039 121.100 121.223 -0.270 0.000 2.343 207 L HA 0.328 4.668 4.340 0.000 0.000 0.275 207 L C 0.714 177.494 176.870 -0.151 0.000 1.056 207 L CA -0.559 54.048 54.840 -0.388 0.000 0.804 207 L CB 1.555 43.444 42.059 -0.284 0.000 1.203 207 L HN 0.175 nan 8.230 nan 0.000 0.440 208 S N 0.193 115.834 115.700 -0.099 0.000 2.533 208 S HA 0.124 4.594 4.470 0.000 0.000 0.282 208 S C 0.784 175.378 174.600 -0.010 0.000 1.304 208 S CA 0.141 58.352 58.200 0.017 0.000 1.063 208 S CB 0.464 63.725 63.200 0.102 0.000 0.881 208 S HN 0.825 nan 8.310 nan 0.000 0.493 209 T N 1.704 116.243 114.554 -0.025 0.000 2.986 209 T HA 0.313 4.663 4.350 0.000 0.000 0.264 209 T C 0.946 175.553 174.700 -0.154 0.000 0.964 209 T CA -0.506 61.531 62.100 -0.106 0.000 0.895 209 T CB 0.040 68.843 68.868 -0.108 0.000 1.163 209 T HN 0.523 nan 8.240 nan 0.000 0.517 210 K N 0.787 121.059 120.400 -0.213 0.000 2.426 210 K HA 0.198 4.518 4.320 0.000 0.000 0.193 210 K C -0.164 176.090 176.600 -0.576 0.000 1.028 210 K CA 0.458 56.471 56.287 -0.457 0.000 1.047 210 K CB -0.039 32.040 32.500 -0.701 0.000 0.821 210 K HN 0.588 nan 8.250 nan 0.000 0.513 211 Y N 0.107 120.392 120.300 -0.025 0.000 2.706 211 Y HA 0.214 4.764 4.550 0.000 0.000 0.255 211 Y C 1.076 176.983 175.900 0.013 0.000 1.163 211 Y CA -0.564 57.534 58.100 -0.003 0.000 1.174 211 Y CB 0.232 38.699 38.460 0.011 0.000 1.200 211 Y HN -0.043 nan 8.280 nan 0.000 0.544 212 N N 0.684 119.433 118.700 0.082 0.000 2.289 212 N HA -0.153 4.588 4.740 0.000 0.000 0.184 212 N C 0.859 176.465 175.510 0.160 0.000 1.016 212 N CA 1.414 54.538 53.050 0.125 0.000 0.872 212 N CB 0.023 38.536 38.487 0.043 0.000 0.973 212 N HN 0.448 nan 8.380 nan 0.000 0.433 213 D N -0.370 120.083 120.400 0.088 0.000 2.269 213 D HA -0.030 4.610 4.640 0.000 0.000 0.208 213 D C 0.508 176.845 176.300 0.062 0.000 0.963 213 D CA 0.913 54.940 54.000 0.044 0.000 0.864 213 D CB -0.014 40.796 40.800 0.016 0.000 0.936 213 D HN 0.316 nan 8.370 nan 0.000 0.505 214 T N -2.167 112.454 114.554 0.112 0.000 3.401 214 T HA 0.346 4.696 4.350 0.000 0.000 0.341 214 T C -2.321 172.452 174.700 0.121 0.000 1.674 214 T CA -1.730 60.432 62.100 0.105 0.000 1.600 214 T CB 1.799 70.732 68.868 0.108 0.000 0.974 214 T HN -0.268 nan 8.240 nan 0.000 0.672 215 P HA -0.139 nan 4.420 nan 0.000 0.217 215 P C 1.319 178.674 177.300 0.092 0.000 1.151 215 P CA 1.232 64.417 63.100 0.141 0.000 0.849 215 P CB 0.169 31.976 31.700 0.179 0.000 0.787 216 E N -0.770 119.468 120.200 0.065 0.000 2.418 216 E HA -0.085 4.265 4.350 0.000 0.000 0.197 216 E C 1.228 177.819 176.600 -0.015 0.000 1.026 216 E CA 0.607 57.026 56.400 0.030 0.000 0.862 216 E CB -0.130 29.586 29.700 0.026 0.000 0.799 216 E HN 0.252 nan 8.360 nan 0.000 0.518 217 K N -0.087 120.290 120.400 -0.039 0.000 2.358 217 K HA 0.212 4.533 4.320 0.000 0.000 0.197 217 K C 1.480 177.881 176.600 -0.333 0.000 1.025 217 K CA 0.187 56.384 56.287 -0.149 0.000 1.104 217 K CB 0.701 33.126 32.500 -0.125 0.000 0.855 217 K HN 0.016 nan 8.250 nan 0.000 0.531 218 A N 1.098 123.820 122.820 -0.164 0.000 1.898 218 A HA -0.043 4.277 4.320 0.000 0.000 0.216 218 A C 1.441 178.946 177.584 -0.131 0.000 1.181 218 A CA 1.006 52.969 52.037 -0.123 0.000 0.620 218 A CB -0.107 18.945 19.000 0.087 0.000 0.819 218 A HN 0.173 nan 8.150 nan 0.000 0.442 219 S N 0.230 115.886 115.700 -0.074 0.000 2.430 219 S HA 0.480 4.950 4.470 0.000 0.000 0.289 219 S C 0.192 174.732 174.600 -0.100 0.000 1.143 219 S CA -0.618 57.553 58.200 -0.049 0.000 1.067 219 S CB -0.030 63.167 63.200 -0.006 0.000 0.964 219 S HN 0.510 nan 8.310 nan 0.000 0.485 220 R N 2.306 122.741 120.500 -0.109 0.000 2.570 220 R HA 0.198 4.539 4.340 0.000 0.000 0.246 220 R C -0.732 175.498 176.300 -0.116 0.000 1.417 220 R CA -0.634 55.397 56.100 -0.115 0.000 1.525 220 R CB -0.992 29.213 30.300 -0.157 0.000 1.403 220 R HN 0.422 nan 8.270 nan 0.000 0.754 221 T N 1.637 116.073 114.554 -0.197 0.000 2.891 221 T HA -0.088 4.263 4.350 0.000 0.000 0.296 221 T C 0.159 174.632 174.700 -0.379 0.000 1.025 221 T CA 1.178 63.021 62.100 -0.428 0.000 1.149 221 T CB -0.206 68.266 68.868 -0.661 0.000 1.007 221 T HN 0.623 nan 8.240 nan 0.000 0.528 222 Y N -1.436 118.870 120.300 0.010 0.000 4.936 222 Y HA -0.254 4.296 4.550 0.000 0.000 0.260 222 Y C 0.759 176.660 175.900 0.001 0.000 0.928 222 Y CA 0.456 58.560 58.100 0.008 0.000 1.869 222 Y CB -1.681 36.782 38.460 0.006 0.000 1.344 222 Y HN 0.700 nan 8.280 nan 0.000 0.521 223 D N 0.957 121.411 120.400 0.089 0.000 2.345 223 D HA 0.512 5.152 4.640 0.000 0.000 0.247 223 D C 1.184 177.497 176.300 0.022 0.000 1.108 223 D CA 0.749 54.784 54.000 0.058 0.000 0.894 223 D CB 1.362 42.185 40.800 0.038 0.000 1.203 223 D HN 0.249 nan 8.370 nan 0.000 0.430 224 A N 3.086 125.877 122.820 -0.048 0.000 2.076 224 A HA -0.168 4.152 4.320 0.000 0.000 0.220 224 A C 1.024 178.398 177.584 -0.349 0.000 1.160 224 A CA 1.351 53.257 52.037 -0.218 0.000 0.653 224 A CB -0.521 18.274 19.000 -0.342 0.000 0.801 224 A HN 0.788 nan 8.150 nan 0.000 0.455 225 H N -0.813 118.316 119.070 0.098 0.000 2.469 225 H HA 0.195 4.751 4.556 0.000 0.000 0.286 225 H C 0.408 175.857 175.328 0.201 0.000 1.106 225 H CA -0.442 55.694 56.048 0.145 0.000 1.055 225 H CB 0.118 29.989 29.762 0.182 0.000 1.618 225 H HN 0.576 nan 8.280 nan 0.000 0.559 226 R N 1.505 122.113 120.500 0.180 0.000 2.590 226 R HA 0.024 4.364 4.340 0.000 0.000 0.274 226 R C -0.478 175.933 176.300 0.184 0.000 1.061 226 R CA 0.236 56.431 56.100 0.157 0.000 1.081 226 R CB 0.559 30.898 30.300 0.064 0.000 0.984 226 R HN 0.254 nan 8.270 nan 0.000 0.448 227 D N 1.211 121.736 120.400 0.207 0.000 2.692 227 D HA 0.230 4.870 4.640 0.000 0.000 0.290 227 D C 0.110 176.474 176.300 0.107 0.000 1.455 227 D CA 0.045 54.136 54.000 0.152 0.000 0.796 227 D CB 0.533 41.419 40.800 0.144 0.000 1.131 227 D HN 0.887 nan 8.370 nan 0.000 0.467 228 G N 0.457 109.323 108.800 0.110 0.000 2.357 228 G HA2 0.231 4.191 3.960 0.000 0.000 0.643 228 G HA3 0.231 4.191 3.960 0.000 0.000 0.643 228 G C -0.715 174.248 174.900 0.104 0.000 1.358 228 G CA -0.693 44.457 45.100 0.084 0.000 0.986 228 G HN 0.277 nan 8.290 nan 0.000 0.620 229 F N -0.570 119.429 119.950 0.082 0.000 2.370 229 F HA 0.819 5.346 4.527 0.000 0.000 0.319 229 F C 0.188 176.022 175.800 0.055 0.000 1.129 229 F CA -1.490 56.543 58.000 0.055 0.000 1.109 229 F CB 1.379 40.429 39.000 0.082 0.000 1.262 229 F HN 0.390 nan 8.300 nan 0.000 0.534 230 V N 4.493 124.602 119.914 0.325 0.000 2.328 230 V HA 0.255 4.376 4.120 0.000 0.000 0.278 230 V C 0.242 176.542 176.094 0.343 0.000 1.021 230 V CA -0.854 61.573 62.300 0.213 0.000 0.838 230 V CB 1.018 32.937 31.823 0.159 0.000 0.999 230 V HN 0.861 nan 8.190 nan 0.000 0.447 231 I N 4.733 125.467 120.570 0.273 0.000 2.692 231 I HA 0.488 4.658 4.170 0.000 0.000 0.284 231 I C 0.521 176.765 176.117 0.211 0.000 1.159 231 I CA 0.534 61.998 61.300 0.273 0.000 1.423 231 I CB 0.854 38.968 38.000 0.190 0.000 1.380 231 I HN 0.785 nan 8.210 nan 0.000 0.580 232 A N 4.880 127.768 122.820 0.112 0.000 2.569 232 A HA 0.904 5.224 4.320 0.000 0.000 0.290 232 A C -0.581 176.993 177.584 -0.018 0.000 1.136 232 A CA -0.099 51.961 52.037 0.038 0.000 0.710 232 A CB 1.385 20.409 19.000 0.040 0.000 1.303 232 A HN 0.836 nan 8.150 nan 0.000 0.413 233 G N -1.961 106.788 108.800 -0.086 0.000 2.798 233 G HA2 0.921 4.882 3.960 0.000 0.000 0.286 233 G HA3 0.921 4.882 3.960 0.000 0.000 0.286 233 G C -0.061 174.722 174.900 -0.195 0.000 1.389 233 G CA -0.228 44.830 45.100 -0.070 0.000 0.894 233 G HN 2.318 nan 8.290 nan 0.000 0.488 234 G N -2.169 106.496 108.800 -0.225 0.000 2.302 234 G HA2 0.609 4.569 3.960 0.000 0.000 0.276 234 G HA3 0.609 4.569 3.960 0.000 0.000 0.276 234 G C -0.332 174.526 174.900 -0.071 0.000 1.316 234 G CA 0.207 45.025 45.100 -0.471 0.000 0.988 234 G HN 2.036 nan 8.290 nan 0.000 0.479 235 G N -1.741 107.019 108.800 -0.066 0.000 2.692 235 G HA2 0.992 4.952 3.960 0.000 0.000 0.291 235 G HA3 0.992 4.952 3.960 0.000 0.000 0.291 235 G C -0.355 174.529 174.900 -0.026 0.000 1.423 235 G CA 0.416 45.541 45.100 0.042 0.000 0.843 235 G HN 2.036 nan 8.290 nan 0.000 0.486 236 G N -1.217 107.564 108.800 -0.032 0.000 2.704 236 G HA2 0.709 4.670 3.960 0.000 0.000 0.293 236 G HA3 0.709 4.670 3.960 0.000 0.000 0.293 236 G C -1.657 173.203 174.900 -0.068 0.000 1.421 236 G CA -0.699 44.356 45.100 -0.075 0.000 0.870 236 G HN 0.867 nan 8.290 nan 0.000 0.492 237 M N 0.691 120.240 119.600 -0.086 0.000 2.413 237 M HA 0.613 5.093 4.480 0.000 0.000 0.287 237 M C -0.932 175.315 176.300 -0.088 0.000 1.186 237 M CA -0.663 54.589 55.300 -0.080 0.000 0.927 237 M CB 2.317 34.863 32.600 -0.091 0.000 1.715 237 M HN 1.089 nan 8.290 nan 0.000 0.478 238 V N 1.468 121.332 119.914 -0.082 0.000 2.914 238 V HA 0.914 5.034 4.120 0.000 0.000 0.314 238 V C -1.142 174.903 176.094 -0.082 0.000 1.084 238 V CA -0.912 61.328 62.300 -0.099 0.000 0.963 238 V CB 1.892 33.633 31.823 -0.137 0.000 1.025 238 V HN 0.600 nan 8.190 nan 0.000 0.432 239 V N 3.534 123.388 119.914 -0.101 0.000 2.334 239 V HA 0.354 4.474 4.120 0.000 0.000 0.267 239 V C 0.177 176.150 176.094 -0.202 0.000 1.040 239 V CA -0.375 61.796 62.300 -0.214 0.000 0.866 239 V CB 0.943 32.653 31.823 -0.189 0.000 1.019 239 V HN 0.728 nan 8.190 nan 0.000 0.468 240 V N 4.974 124.741 119.914 -0.245 0.000 2.432 240 V HA 0.470 4.590 4.120 0.000 0.000 0.275 240 V C 0.087 176.052 176.094 -0.214 0.000 1.043 240 V CA -0.229 61.957 62.300 -0.191 0.000 0.925 240 V CB 1.317 33.035 31.823 -0.176 0.000 0.985 240 V HN 0.991 nan 8.190 nan 0.000 0.466 241 E N 2.803 122.914 120.200 -0.147 0.000 2.331 241 E HA 0.315 4.665 4.350 0.000 0.000 0.275 241 E C -0.800 175.754 176.600 -0.077 0.000 0.895 241 E CA -0.723 55.599 56.400 -0.131 0.000 0.753 241 E CB 1.788 31.438 29.700 -0.083 0.000 1.216 241 E HN 0.696 nan 8.360 nan 0.000 0.434 242 E N 3.803 123.958 120.200 -0.075 0.000 2.384 242 E HA -0.032 4.318 4.350 0.000 0.000 0.266 242 E C 0.751 177.363 176.600 0.020 0.000 1.012 242 E CA -0.076 56.307 56.400 -0.028 0.000 0.901 242 E CB 1.088 30.769 29.700 -0.031 0.000 0.967 242 E HN 0.650 nan 8.360 nan 0.000 0.435 243 L N 5.689 126.917 121.223 0.007 0.000 1.989 243 L HA -0.219 4.121 4.340 0.000 0.000 0.211 243 L C 1.904 178.787 176.870 0.021 0.000 1.071 243 L CA 1.929 56.773 54.840 0.007 0.000 0.749 243 L CB -0.390 41.668 42.059 -0.003 0.000 0.890 243 L HN 0.551 nan 8.230 nan 0.000 0.431 244 E N -1.024 119.193 120.200 0.029 0.000 2.110 244 E HA -0.270 4.080 4.350 0.000 0.000 0.193 244 E C 2.198 178.819 176.600 0.035 0.000 0.988 244 E CA 1.362 57.777 56.400 0.025 0.000 0.804 244 E CB -0.685 29.030 29.700 0.025 0.000 0.745 244 E HN 0.690 nan 8.360 nan 0.000 0.458 245 H N 0.580 119.635 119.070 -0.026 0.000 2.319 245 H HA -0.071 4.485 4.556 0.000 0.000 0.299 245 H C 1.899 177.210 175.328 -0.028 0.000 1.092 245 H CA 1.747 57.779 56.048 -0.026 0.000 1.302 245 H CB 0.232 29.974 29.762 -0.033 0.000 1.373 245 H HN 0.142 nan 8.280 nan 0.000 0.497 246 A N 1.199 124.059 122.820 0.067 0.000 1.858 246 A HA -0.112 4.208 4.320 0.000 0.000 0.216 246 A C 2.872 180.432 177.584 -0.041 0.000 1.190 246 A CA 1.297 53.340 52.037 0.010 0.000 0.617 246 A CB -0.953 18.053 19.000 0.010 0.000 0.827 246 A HN 0.398 nan 8.150 nan 0.000 0.443 247 L N -0.625 120.577 121.223 -0.035 0.000 2.012 247 L HA -0.253 4.087 4.340 0.000 0.000 0.210 247 L C 3.123 179.959 176.870 -0.057 0.000 1.073 247 L CA 1.226 56.041 54.840 -0.041 0.000 0.748 247 L CB -0.698 41.343 42.059 -0.030 0.000 0.891 247 L HN 0.453 nan 8.230 nan 0.000 0.431 248 A N 1.069 123.841 122.820 -0.079 0.000 1.917 248 A HA -0.235 4.085 4.320 0.000 0.000 0.219 248 A C 2.275 179.792 177.584 -0.112 0.000 1.182 248 A CA 2.102 54.079 52.037 -0.099 0.000 0.633 248 A CB -0.608 18.313 19.000 -0.132 0.000 0.819 248 A HN 0.604 nan 8.150 nan 0.000 0.448 249 R N -1.222 119.192 120.500 -0.144 0.000 2.317 249 R HA 0.335 4.676 4.340 0.000 0.000 0.208 249 R C 1.003 177.268 176.300 -0.058 0.000 0.914 249 R CA 0.728 56.762 56.100 -0.110 0.000 1.060 249 R CB -0.607 29.608 30.300 -0.142 0.000 1.015 249 R HN 0.849 nan 8.270 nan 0.000 0.498 250 G N 0.737 109.508 108.800 -0.049 0.000 2.176 250 G HA2 -0.329 3.631 3.960 0.000 0.000 0.252 250 G HA3 -0.329 3.631 3.960 0.000 0.000 0.252 250 G C 0.320 175.212 174.900 -0.014 0.000 1.024 250 G CA 0.103 45.186 45.100 -0.028 0.000 0.755 250 G HN 0.720 nan 8.290 nan 0.000 0.507 251 A N 0.206 123.016 122.820 -0.017 0.000 2.520 251 A HA 0.449 4.769 4.320 0.000 0.000 0.235 251 A C 0.722 178.308 177.584 0.004 0.000 1.065 251 A CA 0.397 52.436 52.037 0.003 0.000 0.764 251 A CB 0.126 19.124 19.000 -0.002 0.000 1.002 251 A HN 1.030 nan 8.150 nan 0.000 0.502 252 H N 1.891 120.911 119.070 -0.083 0.000 2.742 252 H HA 0.372 4.928 4.556 0.000 0.000 0.302 252 H C -1.126 174.096 175.328 -0.177 0.000 1.069 252 H CA -0.183 55.774 56.048 -0.152 0.000 1.446 252 H CB 0.296 29.934 29.762 -0.208 0.000 1.462 252 H HN 0.420 nan 8.280 nan 0.000 0.499 253 I N 6.448 126.647 120.570 -0.618 0.000 2.336 253 I HA 0.002 4.172 4.170 0.000 0.000 0.292 253 I C 0.201 175.924 176.117 -0.657 0.000 0.991 253 I CA -0.318 60.707 61.300 -0.459 0.000 1.227 253 I CB 1.077 38.948 38.000 -0.215 0.000 1.366 253 I HN 0.638 nan 8.210 nan 0.000 0.466 254 Y N 4.572 124.651 120.300 -0.368 0.000 2.176 254 Y HA 0.416 4.966 4.550 0.000 0.000 0.291 254 Y C 1.208 177.022 175.900 -0.143 0.000 1.122 254 Y CA 0.972 58.934 58.100 -0.229 0.000 1.128 254 Y CB 0.081 38.480 38.460 -0.102 0.000 1.005 254 Y HN 0.643 nan 8.280 nan 0.000 0.509 255 A N -0.843 122.009 122.820 0.054 0.000 2.586 255 A HA 0.387 4.707 4.320 0.000 0.000 0.291 255 A C -1.432 176.149 177.584 -0.004 0.000 1.062 255 A CA -0.831 51.215 52.037 0.015 0.000 0.666 255 A CB 0.879 19.897 19.000 0.030 0.000 1.281 255 A HN 0.062 nan 8.150 nan 0.000 0.421 256 E N 0.779 120.973 120.200 -0.009 0.000 2.231 256 E HA 0.444 4.794 4.350 0.000 0.000 0.277 256 E C -0.746 175.850 176.600 -0.006 0.000 0.999 256 E CA -0.722 55.671 56.400 -0.011 0.000 0.827 256 E CB 0.626 30.321 29.700 -0.008 0.000 1.101 256 E HN 0.461 nan 8.360 nan 0.000 0.393 257 I N 6.324 126.886 120.570 -0.013 0.000 2.329 257 I HA -0.034 4.136 4.170 0.000 0.000 0.295 257 I C 1.211 177.337 176.117 0.015 0.000 1.109 257 I CA 0.254 61.550 61.300 -0.007 0.000 1.297 257 I CB 0.084 38.066 38.000 -0.030 0.000 1.433 257 I HN 0.421 nan 8.210 nan 0.000 0.509 258 V N 3.319 123.249 119.914 0.026 0.000 3.608 258 V HA 0.525 4.645 4.120 0.000 0.000 0.269 258 V C 0.788 176.916 176.094 0.056 0.000 1.245 258 V CA 0.385 62.707 62.300 0.037 0.000 1.138 258 V CB 0.022 31.864 31.823 0.032 0.000 0.841 258 V HN 0.689 nan 8.190 nan 0.000 0.451 259 G N -0.501 108.341 108.800 0.069 0.000 2.753 259 G HA2 0.534 4.494 3.960 0.000 0.000 0.297 259 G HA3 0.534 4.494 3.960 0.000 0.000 0.297 259 G C -2.283 172.711 174.900 0.157 0.000 1.430 259 G CA -0.538 44.617 45.100 0.091 0.000 1.040 259 G HN 0.312 nan 8.290 nan 0.000 0.530 260 Y N 1.490 121.792 120.300 0.004 0.000 2.307 260 Y HA 0.663 5.213 4.550 0.000 0.000 0.323 260 Y C -0.119 175.790 175.900 0.014 0.000 1.100 260 Y CA -1.269 56.833 58.100 0.003 0.000 1.140 260 Y CB 1.676 40.143 38.460 0.012 0.000 1.159 260 Y HN 0.820 nan 8.280 nan 0.000 0.436 261 G N 3.289 111.975 108.800 -0.189 0.000 2.379 261 G HA2 0.711 4.671 3.960 0.000 0.000 0.327 261 G HA3 0.711 4.671 3.960 0.000 0.000 0.327 261 G C -1.532 173.140 174.900 -0.381 0.000 1.145 261 G CA -0.535 44.389 45.100 -0.293 0.000 0.905 261 G HN 1.091 nan 8.290 nan 0.000 0.466 262 A N 1.911 124.515 122.820 -0.360 0.000 2.411 262 A HA 0.858 5.178 4.320 0.000 0.000 0.285 262 A C 0.053 177.623 177.584 -0.024 0.000 1.129 262 A CA -0.155 51.824 52.037 -0.097 0.000 0.736 262 A CB 1.305 20.250 19.000 -0.091 0.000 1.186 262 A HN 1.464 nan 8.150 nan 0.000 0.445 263 T N -1.356 113.229 114.554 0.052 0.000 2.804 263 T HA 0.850 5.200 4.350 0.000 0.000 0.290 263 T C -0.277 174.453 174.700 0.051 0.000 1.099 263 T CA -0.481 61.635 62.100 0.025 0.000 1.011 263 T CB 1.730 70.598 68.868 0.000 0.000 1.291 263 T HN 1.276 nan 8.240 nan 0.000 0.523 264 S N -0.983 114.730 115.700 0.023 0.000 2.536 264 S HA 0.468 4.938 4.470 0.000 0.000 0.287 264 S C -0.134 174.470 174.600 0.006 0.000 1.101 264 S CA -0.602 57.613 58.200 0.025 0.000 0.950 264 S CB 1.605 64.815 63.200 0.016 0.000 1.056 264 S HN 0.704 nan 8.310 nan 0.000 0.481 265 D N 2.725 123.129 120.400 0.007 0.000 2.103 265 D HA 0.148 4.788 4.640 0.000 0.000 0.199 265 D C 1.464 177.761 176.300 -0.004 0.000 0.978 265 D CA 1.577 55.572 54.000 -0.009 0.000 0.829 265 D CB -0.546 40.249 40.800 -0.008 0.000 0.981 265 D HN 1.044 nan 8.370 nan 0.000 0.464 266 G N 0.027 108.830 108.800 0.006 0.000 2.323 266 G HA2 -0.116 3.844 3.960 0.000 0.000 0.292 266 G HA3 -0.116 3.844 3.960 0.000 0.000 0.292 266 G C 0.638 175.539 174.900 0.001 0.000 1.040 266 G CA 0.924 46.026 45.100 0.004 0.000 0.942 266 G HN 0.616 nan 8.290 nan 0.000 0.506 267 A N -1.132 121.690 122.820 0.003 0.000 1.845 267 A HA 0.670 4.990 4.320 0.000 0.000 0.188 267 A C 0.456 178.041 177.584 0.001 0.000 2.173 267 A CA 0.879 52.916 52.037 -0.001 0.000 1.255 267 A CB 0.671 19.668 19.000 -0.005 0.000 0.999 267 A HN 0.298 nan 8.150 nan 0.000 0.634 268 D N -0.962 119.440 120.400 0.003 0.000 2.419 268 D HA 0.429 5.069 4.640 0.000 0.000 0.234 268 D C 0.598 176.898 176.300 0.001 0.000 1.014 268 D CA -0.588 53.411 54.000 -0.002 0.000 0.919 268 D CB 1.577 42.373 40.800 -0.006 0.000 1.366 268 D HN 0.048 nan 8.370 nan 0.000 0.490 269 M N 0.496 120.085 119.600 -0.019 0.000 2.236 269 M HA -0.048 4.433 4.480 0.000 0.000 0.266 269 M C 1.516 177.770 176.300 -0.075 0.000 1.070 269 M CA 1.369 56.654 55.300 -0.025 0.000 1.137 269 M CB 0.011 32.583 32.600 -0.047 0.000 1.378 269 M HN 0.392 nan 8.290 nan 0.000 0.426 270 V N -4.073 115.745 119.914 -0.159 0.000 3.382 270 V HA 0.590 4.711 4.120 0.000 0.000 0.296 270 V C 0.335 176.353 176.094 -0.126 0.000 1.529 270 V CA -0.241 61.835 62.300 -0.374 0.000 1.048 270 V CB -0.471 30.966 31.823 -0.643 0.000 0.878 270 V HN 0.122 nan 8.190 nan 0.000 0.442 271 A N 2.346 125.153 122.820 -0.022 0.000 2.331 271 A HA 0.929 5.249 4.320 0.000 0.000 0.320 271 A C -2.776 174.838 177.584 0.050 0.000 1.138 271 A CA -1.712 50.347 52.037 0.037 0.000 0.790 271 A CB 1.024 20.034 19.000 0.018 0.000 1.206 271 A HN 0.264 nan 8.150 nan 0.000 0.470 272 P HA 0.163 nan 4.420 nan 0.000 0.275 272 P C 0.710 178.001 177.300 -0.015 0.000 1.228 272 P CA -0.094 63.018 63.100 0.020 0.000 0.786 272 P CB 1.478 33.184 31.700 0.009 0.000 0.927 273 S N 0.854 116.526 115.700 -0.047 0.000 2.486 273 S HA 0.183 4.653 4.470 0.000 0.000 0.220 273 S C 1.606 176.169 174.600 -0.062 0.000 1.011 273 S CA 0.889 59.063 58.200 -0.044 0.000 0.921 273 S CB -0.951 62.226 63.200 -0.039 0.000 0.785 273 S HN 0.739 nan 8.310 nan 0.000 0.517 274 G N 1.562 110.296 108.800 -0.110 0.000 3.329 274 G HA2 -0.321 3.639 3.960 0.000 0.000 0.220 274 G HA3 -0.321 3.639 3.960 0.000 0.000 0.220 274 G C 0.004 174.835 174.900 -0.114 0.000 1.358 274 G CA 0.284 45.314 45.100 -0.116 0.000 0.856 274 G HN 0.647 nan 8.290 nan 0.000 0.551 275 E N 2.544 122.697 120.200 -0.078 0.000 2.452 275 E HA 0.355 4.705 4.350 0.000 0.000 0.261 275 E C 1.517 178.066 176.600 -0.084 0.000 0.987 275 E CA 1.703 58.062 56.400 -0.067 0.000 0.926 275 E CB 0.227 29.900 29.700 -0.045 0.000 0.934 275 E HN 1.701 nan 8.360 nan 0.000 0.452 276 G N 3.764 112.518 108.800 -0.077 0.000 2.729 276 G HA2 -0.390 3.571 3.960 0.000 0.000 0.216 276 G HA3 -0.390 3.571 3.960 0.000 0.000 0.216 276 G C 1.143 175.983 174.900 -0.098 0.000 1.252 276 G CA 0.668 45.723 45.100 -0.075 0.000 0.751 276 G HN 0.797 nan 8.290 nan 0.000 0.527 277 A N 0.487 123.192 122.820 -0.192 0.000 1.898 277 A HA 0.320 4.640 4.320 0.000 0.000 0.216 277 A C 2.641 180.176 177.584 -0.082 0.000 1.181 277 A CA 2.978 54.873 52.037 -0.237 0.000 0.620 277 A CB -0.676 17.967 19.000 -0.594 0.000 0.819 277 A HN 1.206 nan 8.150 nan 0.000 0.442 278 V N 0.059 119.919 119.914 -0.091 0.000 2.252 278 V HA -0.320 3.800 4.120 0.000 0.000 0.249 278 V C 2.669 178.711 176.094 -0.086 0.000 1.056 278 V CA 2.454 64.709 62.300 -0.075 0.000 1.022 278 V CB -0.812 30.969 31.823 -0.071 0.000 0.641 278 V HN 0.536 nan 8.190 nan 0.000 0.445 279 R N -1.228 119.227 120.500 -0.075 0.000 2.096 279 R HA -0.185 4.156 4.340 0.000 0.000 0.235 279 R C 2.408 178.658 176.300 -0.083 0.000 1.127 279 R CA 1.691 57.747 56.100 -0.074 0.000 0.968 279 R CB -0.815 29.455 30.300 -0.049 0.000 0.861 279 R HN 0.588 nan 8.270 nan 0.000 0.440 280 C N 0.601 119.871 119.300 -0.050 0.000 2.432 280 C HA -0.077 4.383 4.460 0.000 0.000 0.277 280 C C 2.591 177.551 174.990 -0.051 0.000 1.249 280 C CA 0.894 59.895 59.018 -0.027 0.000 1.725 280 C CB -0.644 27.136 27.740 0.067 0.000 2.028 280 C HN 0.467 nan 8.230 nan 0.000 0.477 281 M N 0.014 119.593 119.600 -0.034 0.000 2.132 281 M HA -0.129 4.351 4.480 0.000 0.000 0.263 281 M C 2.281 178.474 176.300 -0.180 0.000 1.065 281 M CA 1.738 57.001 55.300 -0.061 0.000 1.122 281 M CB -0.426 32.158 32.600 -0.026 0.000 1.365 281 M HN 0.356 nan 8.290 nan 0.000 0.411 282 K N 0.117 120.377 120.400 -0.233 0.000 2.032 282 K HA -0.179 4.141 4.320 0.000 0.000 0.209 282 K C 1.990 178.237 176.600 -0.588 0.000 1.048 282 K CA 1.582 57.657 56.287 -0.352 0.000 0.927 282 K CB -0.271 32.065 32.500 -0.275 0.000 0.712 282 K HN 0.326 nan 8.250 nan 0.000 0.441 283 M N 0.520 119.850 119.600 -0.449 0.000 2.108 283 M HA -0.191 4.289 4.480 0.000 0.000 0.261 283 M C 2.049 178.187 176.300 -0.271 0.000 1.066 283 M CA 1.828 56.877 55.300 -0.418 0.000 1.107 283 M CB -0.086 32.414 32.600 -0.166 0.000 1.356 283 M HN 0.196 nan 8.290 nan 0.000 0.406 284 A N -0.189 122.524 122.820 -0.178 0.000 2.067 284 A HA -0.091 4.229 4.320 0.000 0.000 0.219 284 A C 1.814 179.363 177.584 -0.057 0.000 1.158 284 A CA 1.107 53.103 52.037 -0.069 0.000 0.661 284 A CB -0.394 18.594 19.000 -0.019 0.000 0.801 284 A HN 0.554 nan 8.150 nan 0.000 0.452 285 M N 0.038 119.555 119.600 -0.138 0.000 2.556 285 M HA 0.109 4.589 4.480 0.000 0.000 0.245 285 M C -0.188 176.099 176.300 -0.022 0.000 1.128 285 M CA 0.087 55.338 55.300 -0.082 0.000 1.069 285 M CB -0.985 31.536 32.600 -0.133 0.000 1.469 285 M HN 0.285 nan 8.290 nan 0.000 0.494 286 H N 1.030 120.089 119.070 -0.018 0.000 3.107 286 H HA 0.231 4.787 4.556 0.000 0.000 0.301 286 H C 1.484 176.810 175.328 -0.003 0.000 0.981 286 H CA 1.166 57.205 56.048 -0.016 0.000 1.443 286 H CB -0.047 29.703 29.762 -0.019 0.000 1.479 286 H HN 0.587 nan 8.280 nan 0.000 0.564 287 G N 2.857 111.734 108.800 0.130 0.000 2.189 287 G HA2 -0.279 3.681 3.960 0.000 0.000 0.267 287 G HA3 -0.279 3.681 3.960 0.000 0.000 0.267 287 G C 0.169 175.102 174.900 0.055 0.000 0.975 287 G CA 0.370 45.511 45.100 0.068 0.000 0.644 287 G HN 0.559 nan 8.290 nan 0.000 0.537 288 V N 1.569 121.518 119.914 0.058 0.000 2.368 288 V HA 0.349 4.469 4.120 0.000 0.000 0.266 288 V C 0.381 176.502 176.094 0.045 0.000 1.045 288 V CA -0.013 62.315 62.300 0.047 0.000 0.899 288 V CB 1.484 33.336 31.823 0.047 0.000 1.006 288 V HN 0.236 nan 8.190 nan 0.000 0.470 289 D N 2.368 122.791 120.400 0.039 0.000 2.402 289 D HA 0.086 4.726 4.640 0.000 0.000 0.216 289 D C 1.007 177.329 176.300 0.037 0.000 1.128 289 D CA 0.219 54.240 54.000 0.036 0.000 0.833 289 D CB 0.856 41.672 40.800 0.028 0.000 0.971 289 D HN 0.683 nan 8.370 nan 0.000 0.503 290 T N -0.441 114.137 114.554 0.040 0.000 2.928 290 T HA 0.528 4.879 4.350 0.000 0.000 0.284 290 T C -2.472 172.262 174.700 0.057 0.000 1.008 290 T CA -1.661 60.464 62.100 0.041 0.000 1.057 290 T CB 2.241 71.130 68.868 0.034 0.000 1.018 290 T HN -0.197 nan 8.240 nan 0.000 0.493 291 P HA 0.312 nan 4.420 nan 0.000 0.277 291 P C -0.414 176.923 177.300 0.062 0.000 1.240 291 P CA -0.727 62.416 63.100 0.072 0.000 0.798 291 P CB 0.515 32.245 31.700 0.049 0.000 0.979 292 I N 3.156 123.774 120.570 0.079 0.000 2.505 292 I HA -0.005 4.165 4.170 0.000 0.000 0.287 292 I C 1.304 177.391 176.117 -0.050 0.000 1.104 292 I CA 0.462 61.772 61.300 0.015 0.000 1.387 292 I CB -0.193 37.804 38.000 -0.005 0.000 1.404 292 I HN 0.330 nan 8.210 nan 0.000 0.528 293 D N 5.119 125.516 120.400 -0.006 0.000 2.240 293 D HA -0.064 4.576 4.640 0.000 0.000 0.206 293 D C 0.019 176.354 176.300 0.059 0.000 0.963 293 D CA 1.227 55.234 54.000 0.012 0.000 0.863 293 D CB 0.428 41.247 40.800 0.031 0.000 0.973 293 D HN 0.529 nan 8.370 nan 0.000 0.501 294 Y N 0.285 120.526 120.300 -0.098 0.000 2.482 294 Y HA 0.435 4.986 4.550 0.000 0.000 0.334 294 Y C -2.054 173.788 175.900 -0.097 0.000 1.091 294 Y CA -1.087 56.950 58.100 -0.105 0.000 1.027 294 Y CB 1.316 39.716 38.460 -0.100 0.000 1.306 294 Y HN -0.238 nan 8.280 nan 0.000 0.446 295 L N 7.117 127.780 121.223 -0.932 0.000 2.316 295 L HA 0.490 4.830 4.340 0.000 0.000 0.280 295 L C -0.980 175.279 176.870 -1.017 0.000 1.006 295 L CA -0.541 53.846 54.840 -0.755 0.000 0.836 295 L CB 0.761 42.582 42.059 -0.397 0.000 1.221 295 L HN 0.770 nan 8.230 nan 0.000 0.418 296 N N 3.475 121.715 118.700 -0.767 0.000 2.402 296 N HA 0.081 4.821 4.740 0.000 0.000 0.252 296 N C -0.367 175.045 175.510 -0.163 0.000 1.118 296 N CA -0.087 52.769 53.050 -0.323 0.000 0.945 296 N CB 0.904 39.373 38.487 -0.029 0.000 1.147 296 N HN 0.712 nan 8.380 nan 0.000 0.495 297 S N 2.708 118.356 115.700 -0.086 0.000 2.603 297 S HA 0.036 4.506 4.470 0.000 0.000 0.268 297 S C 1.321 175.899 174.600 -0.036 0.000 1.317 297 S CA -0.336 57.859 58.200 -0.008 0.000 1.012 297 S CB 1.351 64.633 63.200 0.138 0.000 0.926 297 S HN 0.705 nan 8.310 nan 0.000 0.539 298 H N 2.575 121.536 119.070 -0.182 0.000 2.321 298 H HA 0.102 4.658 4.556 0.000 0.000 0.300 298 H C 1.623 176.836 175.328 -0.191 0.000 1.087 298 H CA 1.591 57.479 56.048 -0.266 0.000 1.319 298 H CB -1.069 28.461 29.762 -0.387 0.000 1.379 298 H HN 1.137 nan 8.280 nan 0.000 0.501 299 G N 0.578 109.300 108.800 -0.131 0.000 2.142 299 G HA2 -0.303 3.657 3.960 0.000 0.000 0.255 299 G HA3 -0.303 3.657 3.960 0.000 0.000 0.255 299 G C 0.997 175.670 174.900 -0.377 0.000 0.803 299 G CA 0.969 45.924 45.100 -0.242 0.000 1.195 299 G HN 0.783 nan 8.290 nan 0.000 0.366 300 T N -1.912 112.419 114.554 -0.371 0.000 3.081 300 T HA 0.372 4.722 4.350 0.000 0.000 0.255 300 T C 1.423 176.070 174.700 -0.088 0.000 1.113 300 T CA 1.097 62.988 62.100 -0.347 0.000 1.082 300 T CB 0.305 68.959 68.868 -0.357 0.000 0.939 300 T HN 1.993 nan 8.240 nan 0.000 0.506 301 S N 0.977 116.612 115.700 -0.109 0.000 3.672 301 S HA -0.143 4.328 4.470 0.000 0.000 0.294 301 S C 0.218 174.856 174.600 0.063 0.000 1.200 301 S CA 0.580 58.748 58.200 -0.052 0.000 0.837 301 S CB -2.285 60.884 63.200 -0.051 0.000 0.972 301 S HN 1.228 nan 8.310 nan 0.000 0.583 302 T N -0.676 113.938 114.554 0.099 0.000 2.907 302 T HA 0.651 5.001 4.350 0.000 0.000 0.284 302 T C -1.270 173.496 174.700 0.110 0.000 1.004 302 T CA -1.442 60.747 62.100 0.149 0.000 1.063 302 T CB 1.462 70.467 68.868 0.229 0.000 0.992 302 T HN -0.001 nan 8.240 nan 0.000 0.483 303 P HA -0.136 nan 4.420 nan 0.000 0.212 303 P C 1.753 179.109 177.300 0.093 0.000 1.178 303 P CA 0.686 63.839 63.100 0.088 0.000 0.915 303 P CB -0.120 31.628 31.700 0.080 0.000 0.788 304 V N -0.293 119.681 119.914 0.100 0.000 2.307 304 V HA -0.143 3.977 4.120 0.000 0.000 0.245 304 V C 2.610 178.772 176.094 0.114 0.000 1.045 304 V CA 2.495 64.852 62.300 0.095 0.000 1.024 304 V CB -1.945 29.931 31.823 0.089 0.000 0.651 304 V HN 0.204 nan 8.190 nan 0.000 0.449 305 G N -0.267 108.620 108.800 0.145 0.000 2.418 305 G HA2 -0.266 3.694 3.960 0.000 0.000 0.217 305 G HA3 -0.266 3.694 3.960 0.000 0.000 0.217 305 G C 1.202 176.205 174.900 0.173 0.000 1.158 305 G CA 1.130 46.336 45.100 0.175 0.000 0.771 305 G HN 0.500 nan 8.290 nan 0.000 0.545 306 D N 0.178 120.664 120.400 0.143 0.000 2.104 306 D HA -0.133 4.508 4.640 0.000 0.000 0.194 306 D C 2.915 179.366 176.300 0.252 0.000 0.994 306 D CA 1.804 55.909 54.000 0.175 0.000 0.830 306 D CB -0.535 40.326 40.800 0.103 0.000 0.959 306 D HN 0.360 nan 8.370 nan 0.000 0.452 307 V N -1.354 118.667 119.914 0.178 0.000 2.719 307 V HA -0.003 4.117 4.120 0.000 0.000 0.252 307 V C 2.129 178.284 176.094 0.102 0.000 1.065 307 V CA 0.972 63.353 62.300 0.136 0.000 1.086 307 V CB -0.443 31.438 31.823 0.096 0.000 0.700 307 V HN -0.111 nan 8.190 nan 0.000 0.467 308 K N 1.259 121.717 120.400 0.096 0.000 2.057 308 K HA -0.177 4.143 4.320 0.000 0.000 0.207 308 K C 2.263 178.896 176.600 0.056 0.000 1.049 308 K CA 2.116 58.438 56.287 0.057 0.000 0.931 308 K CB -0.436 32.090 32.500 0.043 0.000 0.714 308 K HN 0.740 nan 8.250 nan 0.000 0.440 309 E N -0.109 120.164 120.200 0.122 0.000 2.107 309 E HA -0.138 4.212 4.350 0.000 0.000 0.191 309 E C 1.865 178.558 176.600 0.155 0.000 0.982 309 E CA 0.788 57.292 56.400 0.174 0.000 0.809 309 E CB -0.024 29.891 29.700 0.357 0.000 0.756 309 E HN 0.246 nan 8.360 nan 0.000 0.459 310 L N 0.473 121.782 121.223 0.144 0.000 2.083 310 L HA -0.176 4.165 4.340 0.000 0.000 0.209 310 L C 2.670 179.572 176.870 0.054 0.000 1.083 310 L CA 1.097 55.982 54.840 0.075 0.000 0.752 310 L CB -0.519 41.559 42.059 0.030 0.000 0.899 310 L HN 0.244 nan 8.230 nan 0.000 0.433 311 A N -0.024 122.827 122.820 0.050 0.000 1.898 311 A HA -0.127 4.193 4.320 0.000 0.000 0.216 311 A C 2.536 180.139 177.584 0.032 0.000 1.181 311 A CA 1.579 53.635 52.037 0.032 0.000 0.620 311 A CB -0.590 18.423 19.000 0.022 0.000 0.819 311 A HN 0.396 nan 8.150 nan 0.000 0.442 312 A N -0.190 122.648 122.820 0.031 0.000 1.933 312 A HA -0.046 4.274 4.320 0.000 0.000 0.218 312 A C 1.913 179.536 177.584 0.065 0.000 1.175 312 A CA 1.719 53.768 52.037 0.020 0.000 0.628 312 A CB -0.528 18.465 19.000 -0.011 0.000 0.814 312 A HN 0.383 nan 8.150 nan 0.000 0.444 313 I N 0.018 120.662 120.570 0.123 0.000 2.179 313 I HA -0.202 3.968 4.170 0.000 0.000 0.242 313 I C 2.520 178.776 176.117 0.232 0.000 1.088 313 I CA 1.220 62.657 61.300 0.229 0.000 1.357 313 I CB -0.967 37.138 38.000 0.176 0.000 1.051 313 I HN 0.277 nan 8.210 nan 0.000 0.409 314 R N 0.003 120.575 120.500 0.120 0.000 2.083 314 R HA -0.226 4.114 4.340 0.000 0.000 0.237 314 R C 2.246 178.586 176.300 0.067 0.000 1.137 314 R CA 1.588 57.742 56.100 0.091 0.000 0.951 314 R CB -0.371 29.956 30.300 0.045 0.000 0.851 314 R HN 0.272 nan 8.270 nan 0.000 0.434 315 E N 0.493 120.712 120.200 0.031 0.000 2.077 315 E HA -0.120 4.231 4.350 0.000 0.000 0.193 315 E C 1.852 178.423 176.600 -0.049 0.000 0.989 315 E CA 1.058 57.454 56.400 -0.007 0.000 0.800 315 E CB -0.029 29.660 29.700 -0.018 0.000 0.746 315 E HN 0.047 nan 8.360 nan 0.000 0.452 316 V N -0.340 119.520 119.914 -0.090 0.000 2.358 316 V HA -0.171 3.949 4.120 0.000 0.000 0.246 316 V C 1.706 177.569 176.094 -0.386 0.000 1.047 316 V CA 1.825 63.952 62.300 -0.289 0.000 1.035 316 V CB -0.412 31.145 31.823 -0.443 0.000 0.658 316 V HN 0.271 nan 8.190 nan 0.000 0.452 317 F N -0.867 119.074 119.950 -0.015 0.000 2.717 317 F HA 0.474 5.002 4.527 0.000 0.000 0.297 317 F C 1.854 177.647 175.800 -0.012 0.000 1.113 317 F CA 0.619 58.610 58.000 -0.015 0.000 1.319 317 F CB -0.054 38.935 39.000 -0.018 0.000 1.097 317 F HN 0.262 nan 8.300 nan 0.000 0.595 318 G N 1.009 109.890 108.800 0.134 0.000 2.660 318 G HA2 -0.375 3.585 3.960 0.000 0.000 0.321 318 G HA3 -0.375 3.585 3.960 0.000 0.000 0.321 318 G C 0.603 175.550 174.900 0.079 0.000 1.246 318 G CA 0.842 45.989 45.100 0.078 0.000 1.000 318 G HN 0.266 nan 8.290 nan 0.000 0.550 319 D N 1.500 121.936 120.400 0.059 0.000 2.328 319 D HA 0.168 4.808 4.640 0.000 0.000 0.221 319 D C 1.548 177.875 176.300 0.045 0.000 1.072 319 D CA 1.035 55.059 54.000 0.041 0.000 0.850 319 D CB 0.235 41.051 40.800 0.027 0.000 0.922 319 D HN 0.645 nan 8.370 nan 0.000 0.516 320 K N 0.020 120.467 120.400 0.079 0.000 2.981 320 K HA 0.188 4.509 4.320 0.000 0.000 0.213 320 K C 0.098 176.727 176.600 0.048 0.000 1.154 320 K CA -0.587 55.743 56.287 0.072 0.000 1.111 320 K CB 0.316 32.875 32.500 0.098 0.000 0.975 320 K HN -0.197 nan 8.250 nan 0.000 0.462 321 S N 0.888 116.588 115.700 -0.001 0.000 2.564 321 S HA 0.376 4.846 4.470 0.000 0.000 0.278 321 S C -1.673 172.771 174.600 -0.261 0.000 1.333 321 S CA -0.957 57.148 58.200 -0.157 0.000 1.048 321 S CB 0.178 63.332 63.200 -0.076 0.000 0.900 321 S HN 0.325 nan 8.310 nan 0.000 0.505 322 P HA 0.428 nan 4.420 nan 0.000 0.281 322 P C -0.661 176.518 177.300 -0.203 0.000 1.281 322 P CA -0.804 62.101 63.100 -0.326 0.000 0.811 322 P CB 0.440 31.863 31.700 -0.461 0.000 1.154 323 A N 0.929 123.691 122.820 -0.097 0.000 2.524 323 A HA 0.343 4.664 4.320 0.000 0.000 0.250 323 A C 0.127 177.697 177.584 -0.023 0.000 1.078 323 A CA 0.268 52.301 52.037 -0.008 0.000 0.761 323 A CB -0.962 18.089 19.000 0.086 0.000 1.012 323 A HN 0.330 nan 8.150 nan 0.000 0.500 324 I N 2.141 122.691 120.570 -0.033 0.000 2.474 324 I HA 0.582 4.752 4.170 0.000 0.000 0.294 324 I C 0.421 176.592 176.117 0.090 0.000 1.005 324 I CA -0.456 60.796 61.300 -0.080 0.000 1.113 324 I CB 1.445 39.368 38.000 -0.129 0.000 1.289 324 I HN 0.765 nan 8.210 nan 0.000 0.436 325 S N 3.513 119.310 115.700 0.162 0.000 2.541 325 S HA 0.886 5.356 4.470 0.000 0.000 0.271 325 S C -0.906 173.809 174.600 0.193 0.000 1.133 325 S CA -0.797 57.545 58.200 0.236 0.000 0.876 325 S CB 2.103 65.465 63.200 0.269 0.000 1.105 325 S HN 0.813 nan 8.310 nan 0.000 0.470 326 A N 2.103 125.031 122.820 0.179 0.000 2.341 326 A HA 0.573 4.893 4.320 0.000 0.000 0.326 326 A C 1.178 178.761 177.584 -0.002 0.000 1.402 326 A CA -0.201 51.861 52.037 0.043 0.000 0.957 326 A CB -0.321 18.611 19.000 -0.114 0.000 1.151 326 A HN 1.299 nan 8.150 nan 0.000 0.533 327 T N -0.070 114.490 114.554 0.010 0.000 3.035 327 T HA -0.085 4.266 4.350 0.000 0.000 0.268 327 T C 1.351 176.008 174.700 -0.072 0.000 1.109 327 T CA 1.156 63.231 62.100 -0.041 0.000 1.119 327 T CB -0.300 68.529 68.868 -0.065 0.000 0.900 327 T HN 0.625 nan 8.240 nan 0.000 0.503 328 K N 1.236 121.590 120.400 -0.078 0.000 2.280 328 K HA 0.109 4.429 4.320 0.000 0.000 0.202 328 K C 2.603 179.157 176.600 -0.077 0.000 1.047 328 K CA 0.947 57.178 56.287 -0.094 0.000 0.942 328 K CB -0.383 32.003 32.500 -0.190 0.000 0.739 328 K HN 0.504 nan 8.250 nan 0.000 0.457 329 A N 0.989 123.757 122.820 -0.087 0.000 2.019 329 A HA -0.144 4.177 4.320 0.000 0.000 0.219 329 A C 2.014 179.567 177.584 -0.052 0.000 1.164 329 A CA 1.359 53.353 52.037 -0.072 0.000 0.644 329 A CB -0.275 18.683 19.000 -0.070 0.000 0.805 329 A HN 0.199 nan 8.150 nan 0.000 0.449 330 M N -1.166 118.398 119.600 -0.059 0.000 2.299 330 M HA -0.050 4.430 4.480 0.000 0.000 0.264 330 M C 2.335 178.608 176.300 -0.045 0.000 1.095 330 M CA 1.750 57.014 55.300 -0.060 0.000 1.165 330 M CB -0.127 32.413 32.600 -0.099 0.000 1.349 330 M HN 0.597 nan 8.290 nan 0.000 0.446 331 T N -2.462 112.064 114.554 -0.048 0.000 3.051 331 T HA 0.419 4.769 4.350 0.000 0.000 0.255 331 T C 1.068 175.786 174.700 0.029 0.000 1.085 331 T CA 0.396 62.488 62.100 -0.013 0.000 1.109 331 T CB -0.125 68.755 68.868 0.020 0.000 0.921 331 T HN 0.554 nan 8.240 nan 0.000 0.488 332 G N 1.201 110.022 108.800 0.035 0.000 2.782 332 G HA2 -0.150 3.811 3.960 0.000 0.000 0.228 332 G HA3 -0.150 3.811 3.960 0.000 0.000 0.228 332 G C -0.836 174.115 174.900 0.086 0.000 1.372 332 G CA -0.260 44.892 45.100 0.087 0.000 0.862 332 G HN 0.835 nan 8.290 nan 0.000 0.547 333 H N 0.668 119.729 119.070 -0.014 0.000 2.623 333 H HA 0.606 5.162 4.556 0.000 0.000 0.299 333 H C 1.517 176.759 175.328 -0.144 0.000 1.052 333 H CA -0.087 55.861 56.048 -0.167 0.000 1.231 333 H CB 0.684 30.184 29.762 -0.435 0.000 1.389 333 H HN 0.828 nan 8.280 nan 0.000 0.469 334 S N 4.621 120.415 115.700 0.155 0.000 2.671 334 S HA 0.150 4.621 4.470 0.000 0.000 0.220 334 S C 1.214 175.794 174.600 -0.034 0.000 0.951 334 S CA 0.031 58.245 58.200 0.023 0.000 0.932 334 S CB -0.490 62.717 63.200 0.012 0.000 0.777 334 S HN 0.714 nan 8.310 nan 0.000 0.508 335 L N -0.166 120.989 121.223 -0.114 0.000 5.712 335 L HA -0.336 4.004 4.340 0.000 0.000 0.053 335 L C 2.227 179.077 176.870 -0.032 0.000 2.787 335 L CA 1.299 55.986 54.840 -0.254 0.000 1.527 335 L CB -2.067 39.795 42.059 -0.329 0.000 2.908 335 L HN 0.391 nan 8.230 nan 0.000 0.994 336 G N -0.950 107.837 108.800 -0.022 0.000 2.475 336 G HA2 -0.047 3.913 3.960 0.000 0.000 0.220 336 G HA3 -0.047 3.913 3.960 0.000 0.000 0.220 336 G C 1.288 176.193 174.900 0.010 0.000 1.125 336 G CA 1.584 46.694 45.100 0.015 0.000 0.755 336 G HN 0.910 nan 8.290 nan 0.000 0.565 337 A N 0.400 123.222 122.820 0.004 0.000 2.178 337 A HA 0.611 4.931 4.320 0.000 0.000 0.211 337 A C 2.604 180.160 177.584 -0.047 0.000 1.157 337 A CA 1.369 53.397 52.037 -0.015 0.000 0.780 337 A CB -0.281 18.717 19.000 -0.004 0.000 0.828 337 A HN 0.595 nan 8.150 nan 0.000 0.476 338 A N 0.099 122.907 122.820 -0.019 0.000 1.908 338 A HA 0.076 4.396 4.320 0.000 0.000 0.218 338 A C 2.355 179.881 177.584 -0.096 0.000 1.181 338 A CA 1.917 53.934 52.037 -0.034 0.000 0.627 338 A CB -1.318 17.701 19.000 0.031 0.000 0.818 338 A HN 0.672 nan 8.150 nan 0.000 0.445 339 G N -0.905 107.842 108.800 -0.089 0.000 2.446 339 G HA2 -0.167 3.793 3.960 0.000 0.000 0.217 339 G HA3 -0.167 3.793 3.960 0.000 0.000 0.217 339 G C 1.653 176.461 174.900 -0.154 0.000 1.168 339 G CA 1.339 46.364 45.100 -0.126 0.000 0.771 339 G HN 0.579 nan 8.290 nan 0.000 0.551 340 V N 0.087 119.912 119.914 -0.148 0.000 2.453 340 V HA -0.103 4.017 4.120 0.000 0.000 0.247 340 V C 2.741 178.678 176.094 -0.261 0.000 1.048 340 V CA 2.399 64.596 62.300 -0.172 0.000 1.049 340 V CB -0.227 31.517 31.823 -0.130 0.000 0.672 340 V HN 0.502 nan 8.190 nan 0.000 0.457 341 Q N -0.438 119.174 119.800 -0.314 0.000 2.084 341 Q HA -0.251 4.089 4.340 0.000 0.000 0.202 341 Q C 2.162 177.565 176.000 -0.995 0.000 0.978 341 Q CA 2.186 57.635 55.803 -0.591 0.000 0.844 341 Q CB -0.111 28.349 28.738 -0.464 0.000 0.898 341 Q HN 0.719 nan 8.270 nan 0.000 0.426 342 E N 0.341 120.211 120.200 -0.550 0.000 2.158 342 E HA -0.089 4.261 4.350 0.000 0.000 0.191 342 E C 1.940 178.432 176.600 -0.181 0.000 0.982 342 E CA 0.634 56.852 56.400 -0.303 0.000 0.823 342 E CB -0.037 29.619 29.700 -0.073 0.000 0.766 342 E HN 0.324 nan 8.360 nan 0.000 0.468 343 A N 1.267 123.969 122.820 -0.196 0.000 1.883 343 A HA -0.213 4.107 4.320 0.000 0.000 0.217 343 A C 2.167 179.658 177.584 -0.155 0.000 1.186 343 A CA 1.221 53.171 52.037 -0.144 0.000 0.624 343 A CB -0.632 18.277 19.000 -0.151 0.000 0.822 343 A HN 0.160 nan 8.150 nan 0.000 0.444 344 I N -1.585 118.837 120.570 -0.248 0.000 2.226 344 I HA -0.277 3.893 4.170 0.000 0.000 0.245 344 I C 2.379 178.453 176.117 -0.071 0.000 1.100 344 I CA 1.320 62.488 61.300 -0.219 0.000 1.374 344 I CB -0.446 37.394 38.000 -0.267 0.000 1.057 344 I HN 0.400 nan 8.210 nan 0.000 0.413 345 Y N 0.717 120.996 120.300 -0.034 0.000 2.165 345 Y HA -0.224 4.326 4.550 0.000 0.000 0.286 345 Y C 2.933 178.816 175.900 -0.029 0.000 1.155 345 Y CA 1.021 59.114 58.100 -0.011 0.000 1.164 345 Y CB -1.395 37.064 38.460 -0.001 0.000 0.978 345 Y HN 0.111 nan 8.280 nan 0.000 0.513 346 S N -0.321 115.461 115.700 0.137 0.000 2.383 346 S HA -0.103 4.367 4.470 0.000 0.000 0.227 346 S C 2.008 176.627 174.600 0.031 0.000 1.026 346 S CA 0.751 59.012 58.200 0.101 0.000 0.981 346 S CB -0.424 62.849 63.200 0.122 0.000 0.818 346 S HN 0.170 nan 8.310 nan 0.000 0.472 347 L N 1.538 122.763 121.223 0.004 0.000 2.083 347 L HA 0.044 4.384 4.340 0.000 0.000 0.209 347 L C 2.014 178.924 176.870 0.068 0.000 1.083 347 L CA 1.411 56.247 54.840 -0.006 0.000 0.752 347 L CB -1.248 40.728 42.059 -0.139 0.000 0.899 347 L HN 0.324 nan 8.230 nan 0.000 0.433 348 L N -1.970 119.317 121.223 0.106 0.000 2.072 348 L HA -0.204 4.137 4.340 0.000 0.000 0.205 348 L C 2.527 179.556 176.870 0.265 0.000 1.079 348 L CA 0.970 55.979 54.840 0.282 0.000 0.752 348 L CB -0.325 41.923 42.059 0.315 0.000 0.906 348 L HN 0.232 nan 8.230 nan 0.000 0.436 349 M N -0.760 118.791 119.600 -0.081 0.000 2.108 349 M HA -0.263 4.217 4.480 0.000 0.000 0.261 349 M C 2.331 178.527 176.300 -0.173 0.000 1.066 349 M CA 1.737 56.742 55.300 -0.491 0.000 1.107 349 M CB -0.294 31.849 32.600 -0.763 0.000 1.356 349 M HN 0.277 nan 8.290 nan 0.000 0.406 350 L N -0.138 121.050 121.223 -0.058 0.000 2.005 350 L HA -0.232 4.108 4.340 0.000 0.000 0.207 350 L C 2.459 179.340 176.870 0.019 0.000 1.072 350 L CA 1.641 56.477 54.840 -0.006 0.000 0.744 350 L CB -0.358 41.716 42.059 0.026 0.000 0.895 350 L HN 0.265 nan 8.230 nan 0.000 0.433 351 E N -0.513 119.712 120.200 0.041 0.000 2.085 351 E HA -0.236 4.114 4.350 0.000 0.000 0.194 351 E C 1.840 178.313 176.600 -0.213 0.000 0.994 351 E CA 1.553 57.906 56.400 -0.078 0.000 0.801 351 E CB 0.026 29.679 29.700 -0.078 0.000 0.743 351 E HN 0.500 nan 8.360 nan 0.000 0.453 352 H N -1.663 117.519 119.070 0.187 0.000 2.586 352 H HA 0.299 4.855 4.556 0.000 0.000 0.273 352 H C 0.576 176.045 175.328 0.236 0.000 0.997 352 H CA 0.523 56.698 56.048 0.212 0.000 1.177 352 H CB 0.670 30.591 29.762 0.264 0.000 1.471 352 H HN 0.273 nan 8.280 nan 0.000 0.538 353 G N 1.977 110.918 108.800 0.235 0.000 2.351 353 G HA2 -0.246 3.714 3.960 0.000 0.000 0.297 353 G HA3 -0.246 3.714 3.960 0.000 0.000 0.297 353 G C -0.200 174.842 174.900 0.238 0.000 1.054 353 G CA 0.670 45.862 45.100 0.153 0.000 1.123 353 G HN 0.524 nan 8.290 nan 0.000 0.512 354 F N -1.810 118.125 119.950 -0.024 0.000 2.686 354 F HA 0.833 5.360 4.527 0.000 0.000 0.311 354 F C -0.805 174.897 175.800 -0.164 0.000 1.128 354 F CA -2.196 55.763 58.000 -0.068 0.000 0.946 354 F CB 1.238 40.210 39.000 -0.048 0.000 1.336 354 F HN 0.049 nan 8.300 nan 0.000 0.457 355 I N 2.634 123.028 120.570 -0.293 0.000 2.389 355 I HA 0.603 4.773 4.170 0.000 0.000 0.288 355 I C 0.042 176.025 176.117 -0.223 0.000 0.999 355 I CA -1.029 59.951 61.300 -0.533 0.000 1.129 355 I CB 1.702 39.512 38.000 -0.317 0.000 1.288 355 I HN 0.951 nan 8.210 nan 0.000 0.444 356 A N 9.114 131.726 122.820 -0.346 0.000 2.407 356 A HA 0.521 4.841 4.320 0.000 0.000 0.248 356 A C -2.386 175.206 177.584 0.014 0.000 1.082 356 A CA -1.117 50.926 52.037 0.011 0.000 0.785 356 A CB -0.280 18.710 19.000 -0.018 0.000 1.020 356 A HN 0.406 nan 8.150 nan 0.000 0.489 357 P HA 0.115 nan 4.420 nan 0.000 0.279 357 P C -0.305 177.023 177.300 0.048 0.000 1.239 357 P CA -0.145 62.982 63.100 0.045 0.000 0.789 357 P CB 1.141 32.861 31.700 0.033 0.000 0.933 358 S N 3.336 119.081 115.700 0.075 0.000 2.494 358 S HA 0.288 4.759 4.470 0.000 0.000 0.312 358 S C 0.691 175.326 174.600 0.057 0.000 1.121 358 S CA -0.710 57.543 58.200 0.088 0.000 1.068 358 S CB -1.480 61.823 63.200 0.172 0.000 1.141 358 S HN 0.336 nan 8.310 nan 0.000 0.527 359 I N 2.068 122.650 120.570 0.020 0.000 2.970 359 I HA 0.529 4.699 4.170 0.000 0.000 0.310 359 I C 0.366 176.480 176.117 -0.006 0.000 1.010 359 I CA -0.674 60.629 61.300 0.005 0.000 1.228 359 I CB 0.453 38.447 38.000 -0.011 0.000 1.433 359 I HN 0.486 nan 8.210 nan 0.000 0.573 360 N N 1.049 119.742 118.700 -0.012 0.000 2.782 360 N HA -0.169 4.572 4.740 0.000 0.000 0.251 360 N C -0.742 174.761 175.510 -0.011 0.000 1.101 360 N CA 0.848 53.880 53.050 -0.030 0.000 0.764 360 N CB -1.686 36.756 38.487 -0.074 0.000 1.122 360 N HN 0.611 nan 8.380 nan 0.000 0.561 361 I N 1.386 121.970 120.570 0.022 0.000 2.256 361 I HA 0.085 4.256 4.170 0.000 0.000 0.294 361 I C 1.557 177.700 176.117 0.044 0.000 1.127 361 I CA 0.124 61.452 61.300 0.047 0.000 1.247 361 I CB 0.521 38.568 38.000 0.078 0.000 1.460 361 I HN 0.039 nan 8.210 nan 0.000 0.511 362 E N 3.277 123.507 120.200 0.050 0.000 2.122 362 E HA 0.013 4.363 4.350 0.000 0.000 0.190 362 E C 0.553 177.196 176.600 0.072 0.000 0.977 362 E CA 0.609 57.044 56.400 0.060 0.000 0.820 362 E CB 0.408 30.151 29.700 0.072 0.000 0.770 362 E HN 0.540 nan 8.360 nan 0.000 0.462 363 E N 1.205 121.454 120.200 0.082 0.000 2.283 363 E HA 0.137 4.487 4.350 0.000 0.000 0.258 363 E C -1.218 175.406 176.600 0.040 0.000 0.893 363 E CA -0.341 56.098 56.400 0.064 0.000 0.798 363 E CB 1.081 30.833 29.700 0.088 0.000 1.242 363 E HN -0.001 nan 8.360 nan 0.000 0.414 364 L N 4.006 125.251 121.223 0.037 0.000 2.455 364 L HA 0.144 4.484 4.340 0.000 0.000 0.272 364 L C -0.069 176.815 176.870 0.023 0.000 1.174 364 L CA 0.510 55.374 54.840 0.039 0.000 0.869 364 L CB 0.636 42.710 42.059 0.025 0.000 1.130 364 L HN 0.727 nan 8.230 nan 0.000 0.474 365 D N 2.446 122.869 120.400 0.039 0.000 2.458 365 D HA -0.066 4.574 4.640 0.000 0.000 0.243 365 D C 1.394 177.701 176.300 0.012 0.000 1.146 365 D CA 0.259 54.274 54.000 0.024 0.000 0.877 365 D CB 0.883 41.720 40.800 0.062 0.000 1.176 365 D HN 0.632 nan 8.370 nan 0.000 0.461 366 E N 2.306 122.509 120.200 0.004 0.000 2.265 366 E HA -0.277 4.074 4.350 0.000 0.000 0.196 366 E C 1.134 177.735 176.600 0.002 0.000 0.996 366 E CA 0.822 57.223 56.400 0.002 0.000 0.832 366 E CB -0.097 29.604 29.700 0.002 0.000 0.756 366 E HN 0.623 nan 8.360 nan 0.000 0.491 367 Q N 0.083 119.888 119.800 0.009 0.000 2.437 367 Q HA 0.017 4.358 4.340 0.000 0.000 0.210 367 Q C 1.563 177.559 176.000 -0.006 0.000 0.972 367 Q CA 0.967 56.776 55.803 0.010 0.000 0.903 367 Q CB 0.148 28.901 28.738 0.025 0.000 0.967 367 Q HN 0.445 nan 8.270 nan 0.000 0.486 368 A N 0.339 123.147 122.820 -0.020 0.000 2.345 368 A HA 0.410 4.730 4.320 0.000 0.000 0.225 368 A C 0.736 178.281 177.584 -0.065 0.000 1.243 368 A CA 0.002 51.995 52.037 -0.073 0.000 0.875 368 A CB 0.091 19.020 19.000 -0.118 0.000 0.929 368 A HN 0.235 nan 8.150 nan 0.000 0.502 369 A N -1.265 121.534 122.820 -0.034 0.000 2.462 369 A HA 0.474 4.794 4.320 0.000 0.000 0.243 369 A C 1.650 179.216 177.584 -0.030 0.000 1.076 369 A CA 0.671 52.692 52.037 -0.027 0.000 0.773 369 A CB -0.313 18.679 19.000 -0.013 0.000 1.010 369 A HN 1.883 nan 8.150 nan 0.000 0.493 370 G N 0.848 109.631 108.800 -0.029 0.000 2.454 370 G HA2 -0.221 3.739 3.960 0.000 0.000 0.225 370 G HA3 -0.221 3.739 3.960 0.000 0.000 0.225 370 G C 0.351 175.228 174.900 -0.039 0.000 1.138 370 G CA 0.232 45.316 45.100 -0.027 0.000 0.667 370 G HN 0.870 nan 8.290 nan 0.000 0.512 371 L N 0.984 122.171 121.223 -0.060 0.000 2.476 371 L HA 0.267 4.608 4.340 0.000 0.000 0.264 371 L C 1.168 177.990 176.870 -0.080 0.000 1.224 371 L CA 0.019 54.811 54.840 -0.081 0.000 0.821 371 L CB 0.411 42.396 42.059 -0.124 0.000 1.101 371 L HN 0.384 nan 8.230 nan 0.000 0.488 372 N N 1.802 120.452 118.700 -0.083 0.000 3.322 372 N HA 0.250 4.990 4.740 0.000 0.000 0.290 372 N C -0.636 174.837 175.510 -0.062 0.000 1.297 372 N CA -0.394 52.619 53.050 -0.062 0.000 1.167 372 N CB 0.125 38.580 38.487 -0.053 0.000 1.434 372 N HN 0.440 nan 8.380 nan 0.000 0.526 373 I N 2.345 122.868 120.570 -0.078 0.000 2.379 373 I HA 0.024 4.194 4.170 0.000 0.000 0.290 373 I C 0.419 176.537 176.117 0.000 0.000 1.063 373 I CA -0.481 60.780 61.300 -0.064 0.000 1.351 373 I CB 1.204 39.116 38.000 -0.146 0.000 1.410 373 I HN 0.095 nan 8.210 nan 0.000 0.505 374 V N 6.117 126.055 119.914 0.040 0.000 2.406 374 V HA 0.270 4.390 4.120 0.000 0.000 0.272 374 V C 0.978 177.106 176.094 0.056 0.000 1.043 374 V CA 0.233 62.560 62.300 0.045 0.000 0.915 374 V CB 1.328 33.179 31.823 0.048 0.000 0.988 374 V HN 0.909 nan 8.190 nan 0.000 0.466 375 T N 1.789 116.368 114.554 0.042 0.000 3.092 375 T HA 0.424 4.774 4.350 0.000 0.000 0.258 375 T C 0.208 174.927 174.700 0.032 0.000 1.031 375 T CA 0.022 62.147 62.100 0.042 0.000 0.925 375 T CB -0.037 68.854 68.868 0.037 0.000 1.036 375 T HN 0.689 nan 8.240 nan 0.000 0.544 376 E N 1.065 121.283 120.200 0.031 0.000 2.308 376 E HA 0.446 4.796 4.350 0.000 0.000 0.275 376 E C -1.052 175.569 176.600 0.035 0.000 0.890 376 E CA -0.396 56.019 56.400 0.025 0.000 0.754 376 E CB 1.833 31.544 29.700 0.018 0.000 1.207 376 E HN 0.072 nan 8.360 nan 0.000 0.426 377 T N 2.905 117.482 114.554 0.038 0.000 2.871 377 T HA 0.207 4.557 4.350 0.000 0.000 0.296 377 T C -0.429 174.308 174.700 0.062 0.000 0.998 377 T CA 0.438 62.580 62.100 0.070 0.000 1.162 377 T CB 0.136 69.028 68.868 0.039 0.000 0.947 377 T HN 0.340 nan 8.240 nan 0.000 0.536 378 T N 3.863 118.471 114.554 0.089 0.000 2.881 378 T HA 0.263 4.613 4.350 0.000 0.000 0.291 378 T C -0.587 174.170 174.700 0.094 0.000 0.990 378 T CA -0.957 61.180 62.100 0.061 0.000 0.976 378 T CB 1.241 70.127 68.868 0.030 0.000 0.970 378 T HN 0.417 nan 8.240 nan 0.000 0.438 379 D N 2.724 123.170 120.400 0.077 0.000 2.351 379 D HA 0.429 5.069 4.640 0.000 0.000 0.251 379 D C 0.321 176.655 176.300 0.057 0.000 1.137 379 D CA 0.115 54.169 54.000 0.090 0.000 0.879 379 D CB 0.923 41.758 40.800 0.059 0.000 1.181 379 D HN 0.397 nan 8.370 nan 0.000 0.448 380 R N 1.264 121.797 120.500 0.056 0.000 2.604 380 R HA 0.124 4.464 4.340 0.000 0.000 0.261 380 R C -1.309 175.005 176.300 0.023 0.000 1.080 380 R CA -0.748 55.367 56.100 0.025 0.000 0.917 380 R CB 1.382 31.683 30.300 0.002 0.000 1.252 380 R HN 0.296 nan 8.270 nan 0.000 0.456 381 E N 4.675 124.887 120.200 0.019 0.000 2.217 381 E HA 0.209 4.560 4.350 0.000 0.000 0.279 381 E C -1.126 175.478 176.600 0.007 0.000 1.068 381 E CA -0.122 56.287 56.400 0.016 0.000 0.882 381 E CB 0.526 30.235 29.700 0.015 0.000 1.039 381 E HN 0.382 nan 8.360 nan 0.000 0.418 382 L N 4.153 125.377 121.223 0.001 0.000 2.331 382 L HA 0.419 4.759 4.340 0.000 0.000 0.275 382 L C 0.675 177.550 176.870 0.008 0.000 1.022 382 L CA -0.631 54.209 54.840 0.000 0.000 0.812 382 L CB 1.961 44.009 42.059 -0.019 0.000 1.257 382 L HN 0.653 nan 8.230 nan 0.000 0.435 383 T N -1.322 113.241 114.554 0.015 0.000 3.058 383 T HA 0.103 4.453 4.350 0.000 0.000 0.247 383 T C 0.300 175.013 174.700 0.021 0.000 0.987 383 T CA 0.343 62.452 62.100 0.015 0.000 1.062 383 T CB 0.659 69.535 68.868 0.014 0.000 1.048 383 T HN 0.585 nan 8.240 nan 0.000 0.468 384 T N 2.849 117.421 114.554 0.029 0.000 2.848 384 T HA 0.689 5.039 4.350 0.000 0.000 0.285 384 T C -0.872 173.855 174.700 0.046 0.000 0.995 384 T CA -0.702 61.419 62.100 0.036 0.000 0.970 384 T CB 2.090 70.981 68.868 0.038 0.000 0.976 384 T HN 0.225 nan 8.240 nan 0.000 0.441 385 V N 0.901 120.845 119.914 0.049 0.000 2.962 385 V HA 0.857 4.978 4.120 0.000 0.000 0.313 385 V C -0.765 175.342 176.094 0.021 0.000 1.099 385 V CA -1.206 61.129 62.300 0.058 0.000 0.971 385 V CB 2.194 34.092 31.823 0.126 0.000 1.028 385 V HN 0.978 nan 8.190 nan 0.000 0.430 386 M N 2.918 122.500 119.600 -0.030 0.000 2.464 386 M HA 0.778 5.258 4.480 0.000 0.000 0.308 386 M C -0.968 175.275 176.300 -0.094 0.000 1.127 386 M CA -0.290 54.990 55.300 -0.034 0.000 0.913 386 M CB 2.200 34.807 32.600 0.011 0.000 1.689 386 M HN 1.019 nan 8.290 nan 0.000 0.445 387 S N 3.168 118.824 115.700 -0.073 0.000 2.614 387 S HA 0.575 5.046 4.470 0.000 0.000 0.288 387 S C -1.564 172.951 174.600 -0.142 0.000 1.137 387 S CA -0.782 57.354 58.200 -0.106 0.000 0.992 387 S CB 1.034 64.184 63.200 -0.083 0.000 1.026 387 S HN 0.837 nan 8.310 nan 0.000 0.486 388 N N 2.224 120.796 118.700 -0.213 0.000 2.430 388 N HA 0.538 5.278 4.740 0.000 0.000 0.292 388 N C -1.299 173.823 175.510 -0.647 0.000 1.051 388 N CA -0.341 52.445 53.050 -0.440 0.000 0.917 388 N CB 1.828 40.020 38.487 -0.491 0.000 1.164 388 N HN 0.458 nan 8.380 nan 0.000 0.484 389 S N 1.793 116.994 115.700 -0.832 0.000 2.707 389 S HA 0.566 5.037 4.470 0.000 0.000 0.303 389 S C -1.279 172.794 174.600 -0.879 0.000 1.132 389 S CA -0.589 57.138 58.200 -0.788 0.000 1.046 389 S CB 0.247 63.215 63.200 -0.387 0.000 1.004 389 S HN 0.277 nan 8.310 nan 0.000 0.483 390 F N 1.213 120.632 119.950 -0.886 0.000 2.520 390 F HA 0.812 5.339 4.527 0.000 0.000 0.322 390 F C 0.748 176.334 175.800 -0.357 0.000 1.103 390 F CA -1.001 56.703 58.000 -0.493 0.000 0.926 390 F CB 1.645 40.447 39.000 -0.331 0.000 1.154 390 F HN 0.610 nan 8.300 nan 0.000 0.453 391 G N 1.029 109.902 108.800 0.122 0.000 2.685 391 G HA2 0.619 4.579 3.960 0.000 0.000 0.298 391 G HA3 0.619 4.579 3.960 0.000 0.000 0.298 391 G C -1.267 173.818 174.900 0.309 0.000 1.277 391 G CA -0.718 44.467 45.100 0.141 0.000 0.986 391 G HN 0.207 nan 8.290 nan 0.000 0.487 392 F N 0.090 120.152 119.950 0.187 0.000 2.545 392 F HA 0.404 4.932 4.527 0.001 0.000 0.348 392 F C 1.720 177.590 175.800 0.117 0.000 1.163 392 F CA 0.672 58.767 58.000 0.159 0.000 1.331 392 F CB 0.598 39.701 39.000 0.172 0.000 1.138 392 F HN 1.007 nan 8.300 nan 0.000 0.602 393 G N 0.223 109.191 108.800 0.280 0.000 2.176 393 G HA2 0.035 3.995 3.960 0.000 0.000 0.253 393 G HA3 0.035 3.995 3.960 0.000 0.000 0.253 393 G C 0.895 175.871 174.900 0.126 0.000 0.979 393 G CA 0.353 45.551 45.100 0.162 0.000 0.641 393 G HN 1.943 nan 8.290 nan 0.000 0.530 394 G N -1.273 107.615 108.800 0.147 0.000 2.182 394 G HA2 0.125 4.085 3.960 0.000 0.000 0.248 394 G HA3 0.125 4.085 3.960 0.000 0.000 0.248 394 G C 0.309 175.272 174.900 0.104 0.000 1.042 394 G CA 1.321 46.481 45.100 0.100 0.000 0.775 394 G HN 2.015 nan 8.290 nan 0.000 0.501 395 T N 0.427 115.073 114.554 0.153 0.000 2.767 395 T HA 0.592 4.943 4.350 0.000 0.000 0.284 395 T C -0.121 174.729 174.700 0.249 0.000 0.973 395 T CA -0.575 61.637 62.100 0.188 0.000 0.996 395 T CB 0.388 69.376 68.868 0.199 0.000 0.927 395 T HN 0.287 nan 8.240 nan 0.000 0.456 396 N N 3.019 121.876 118.700 0.261 0.000 2.284 396 N HA 0.719 5.459 4.740 0.000 0.000 0.300 396 N C -1.239 174.385 175.510 0.190 0.000 1.047 396 N CA -0.591 52.632 53.050 0.290 0.000 0.821 396 N CB 2.101 40.724 38.487 0.226 0.000 1.337 396 N HN 0.769 nan 8.380 nan 0.000 0.482 397 A N 0.815 123.644 122.820 0.015 0.000 2.486 397 A HA 0.778 5.099 4.320 0.000 0.000 0.300 397 A C -0.862 176.671 177.584 -0.085 0.000 1.048 397 A CA -0.503 51.461 52.037 -0.121 0.000 0.696 397 A CB 1.348 20.040 19.000 -0.514 0.000 1.278 397 A HN 0.449 nan 8.150 nan 0.000 0.405 398 T N 2.191 116.749 114.554 0.006 0.000 2.916 398 T HA 0.601 4.951 4.350 0.000 0.000 0.298 398 T C -0.825 173.919 174.700 0.075 0.000 1.031 398 T CA -0.264 61.837 62.100 0.001 0.000 0.993 398 T CB 0.965 69.848 68.868 0.025 0.000 1.045 398 T HN 0.503 nan 8.240 nan 0.000 0.454 399 L N 2.501 123.737 121.223 0.023 0.000 2.346 399 L HA 0.797 5.137 4.340 0.000 0.000 0.276 399 L C -0.731 176.151 176.870 0.021 0.000 1.006 399 L CA -1.156 53.706 54.840 0.037 0.000 0.817 399 L CB 1.924 43.969 42.059 -0.023 0.000 1.272 399 L HN 0.327 nan 8.230 nan 0.000 0.421 400 V N 3.867 123.803 119.914 0.037 0.000 2.444 400 V HA 0.517 4.637 4.120 0.000 0.000 0.294 400 V C -0.157 175.952 176.094 0.025 0.000 1.022 400 V CA -0.329 61.992 62.300 0.034 0.000 0.850 400 V CB 1.797 33.648 31.823 0.047 0.000 0.992 400 V HN 0.716 nan 8.190 nan 0.000 0.426 401 M N 5.051 124.663 119.600 0.020 0.000 2.393 401 M HA 0.649 5.129 4.480 0.000 0.000 0.316 401 M C -0.560 175.753 176.300 0.021 0.000 1.087 401 M CA -0.413 54.895 55.300 0.014 0.000 0.937 401 M CB 2.601 35.204 32.600 0.004 0.000 1.668 401 M HN 0.538 nan 8.290 nan 0.000 0.438 402 R N 1.720 122.230 120.500 0.016 0.000 2.621 402 R HA 0.435 4.775 4.340 0.000 0.000 0.284 402 R C -1.033 175.272 176.300 0.007 0.000 0.998 402 R CA -0.767 55.342 56.100 0.016 0.000 0.895 402 R CB 1.880 32.191 30.300 0.017 0.000 1.195 402 R HN 0.633 nan 8.270 nan 0.000 0.450 403 K N 2.510 122.913 120.400 0.006 0.000 2.527 403 K HA -0.006 4.314 4.320 0.000 0.000 0.278 403 K C -0.228 176.364 176.600 -0.013 0.000 0.981 403 K CA 0.115 56.398 56.287 -0.007 0.000 1.009 403 K CB 0.439 32.936 32.500 -0.005 0.000 0.895 403 K HN 0.214 nan 8.250 nan 0.000 0.493 404 L N 0.000 121.206 121.223 -0.028 0.000 2.949 404 L HA 0.000 4.340 4.340 0.000 0.000 0.249 404 L CA 0.000 54.823 54.840 -0.028 0.000 0.813 404 L CB 0.000 42.035 42.059 -0.039 0.000 0.961 404 L HN 0.000 nan 8.230 nan 0.000 0.502